N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide

C26H22N2O2 — CID 160785018

IUPACN-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CCC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H22N2O2/c27-23-7-3-4-8-24(23)28-26(30)20-12-9-18(10-13-20)11-16-25(29)22-15-14-19-5-1-2-6-21(19)17-22/h1-10,12-15,17H,11,16,27H2,(H,28,30)
InChIKeySBBZAOGHCGTXMX-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.49
Rot. Bonds6

About N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide

N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide (PubChem CID 160785018) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
PubChem CID160785018
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC NameN-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CCC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H22N2O2/c27-23-7-3-4-8-24(23)28-26(30)20-12-9-18(10-13-20)11-16-25(29)22-15-14-19-5-1-2-6-21(19)17-22/h1-10,12-15,17H,11,16,27H2,(H,28,30)
InChIKeySBBZAOGHCGTXMX-UHFFFAOYSA-N
XLogP5.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
CID 161179981
N-(2-aminophenyl)-4-naphthalen-2-yloxybenzamide
CID 10760610
4-[3-[5-(aminomethyl)-1H-indol-2-yl]-3-oxopropyl]-N-(2-aminophenyl)benzamide
CID 159603490
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide
CID 160852320
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
CID 115912255
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide (CID 160785018) is N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide is Nc1ccccc1NC(=O)c1ccc(CCC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide?
The InChIKey is SBBZAOGHCGTXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c27-23-7-3-4-8-24(23)28-26(30)20-12-9-18(10-13-20)11-16-25(29)22-15-14-19-5-1-2-6-21(19)17-22/h1-10,12-15,17H,11,16,27H2,(H,28,30).
What are the key properties of N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide?
N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide has a molecular weight of 394.47 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide is sourced from PubChem (CID 160785018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).