N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide

C19H21IN2O2 — CID 28639414

IUPACN-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1I
InChIInChI=1S/C19H21IN2O2/c1-12-8-9-14(11-16(12)20)17(23)21-15-7-5-6-13(10-15)18(24)22-19(2,3)4/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeySFBLEQRNFSSKJF-UHFFFAOYSA-N
MW436.29 g/mol
LogP4.38
Rot. Bonds3

About N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide

N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide (PubChem CID 28639414) has the molecular formula C19H21IN2O2 and a molecular weight of 436.29 g/mol. Its IUPAC name is N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
PubChem CID28639414
Molecular FormulaC19H21IN2O2
Molecular Weight436.29 g/mol
Exact Mass436.06
IUPAC NameN-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1I
InChIInChI=1S/C19H21IN2O2/c1-12-8-9-14(11-16(12)20)17(23)21-15-7-5-6-13(10-15)18(24)22-19(2,3)4/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeySFBLEQRNFSSKJF-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
N-[3-(dimethylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17231812
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 26160147
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056065
N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
CID 87006555

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The IUPAC name of N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide (CID 28639414) is N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The canonical SMILES for N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cc1I.
What is the InChIKey of N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
The InChIKey is SFBLEQRNFSSKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O2/c1-12-8-9-14(11-16(12)20)17(23)21-15-7-5-6-13(10-15)18(24)22-19(2,3)4/h5-11H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide?
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide has a molecular weight of 436.29 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide is sourced from PubChem (CID 28639414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).