N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene

C66H61IN4O4 — CID 160507441

IUPACN-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene
SMILESCC1Cc2ccccc2C1.CCc1cccc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c1.Cc1ccccc1NC(=O)c1ccc(-c2cccc(C=O)c2)cc1.Cc1ccccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C21H20N2O.C21H17NO2.C14H12INO.C10H12/c1-2-15-6-5-7-18(14-15)16-10-12-17(13-11-16)21(24)23-20-9-4-3-8-19(20)22;1-15-5-2-3-8-20(15)22-21(24)18-11-9-17(10-12-18)19-7-4-6-16(13-19)14-23;1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11;1-8-6-9-4-2-3-5-10(9)7-8/h3-14H,2,22H2,1H3,(H,23,24);2-14H,1H3,(H,22,24);2-9H,1H3,(H,16,17);2-5,8H,6-7H2,1H3
InChIKeyQSPDQKSDXDTLNO-UHFFFAOYSA-N
MW1101.14 g/mol
LogP15.75
Rot. Bonds10

About N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene

N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene (PubChem CID 160507441) has the molecular formula C66H61IN4O4 and a molecular weight of 1101.14 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene
PubChem CID160507441
Molecular FormulaC66H61IN4O4
Molecular Weight1101.14 g/mol
Exact Mass1100.37
IUPAC NameN-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene
SMILESCC1Cc2ccccc2C1.CCc1cccc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c1.Cc1ccccc1NC(=O)c1ccc(-c2cccc(C=O)c2)cc1.Cc1ccccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C21H20N2O.C21H17NO2.C14H12INO.C10H12/c1-2-15-6-5-7-18(14-15)16-10-12-17(13-11-16)21(24)23-20-9-4-3-8-19(20)22;1-15-5-2-3-8-20(15)22-21(24)18-11-9-17(10-12-18)19-7-4-6-16(13-19)14-23;1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11;1-8-6-9-4-2-3-5-10(9)7-8/h3-14H,2,22H2,1H3,(H,23,24);2-14H,1H3,(H,22,24);2-9H,1H3,(H,16,17);2-5,8H,6-7H2,1H3
InChIKeyQSPDQKSDXDTLNO-UHFFFAOYSA-N
XLogP15.75
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.14
LogP ≤ 515.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-(2-aminophenyl)-4-iodobenzamide;4-[(E)-2-(4,6-diamino-1,3,5-triazin-2-yl)ethenyl]-N-(2-methylphenyl)benzamide;6-ethenyl-1,3,5-triazine-2,4-diamine
CID 161312407
N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11530585
N-[4-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]phenyl]benzamide
CID 73388672
N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide
CID 68977988
4-(3-ethylphenyl)benzamide
CID 54454087
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
3-(3,4-diaminophenyl)benzaldehyde
CID 154095647

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene?
The IUPAC name of N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene (CID 160507441) is N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene is CC1Cc2ccccc2C1.CCc1cccc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c1.Cc1ccccc1NC(=O)c1ccc(-c2cccc(C=O)c2)cc1.Cc1ccccc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene?
The InChIKey is QSPDQKSDXDTLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O.C21H17NO2.C14H12INO.C10H12/c1-2-15-6-5-7-18(14-15)16-10-12-17(13-11-16)21(24)23-20-9-4-3-8-19(20)22;1-15-5-2-3-8-20(15)22-21(24)18-11-9-17(10-12-18)19-7-4-6-16(13-19)14-23;1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11;1-8-6-9-4-2-3-5-10(9)7-8/h3-14H,2,22H2,1H3,(H,23,24);2-14H,1H3,(H,22,24);2-9H,1H3,(H,16,17);2-5,8H,6-7H2,1H3.
What are the key properties of N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene?
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene has a molecular weight of 1101.14 g/mol, XLogP of 15.75, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 160507441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).