N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide

C21H19ClN2O — CID 28866941

IUPACN-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide
SMILESNc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H19ClN2O/c22-19-12-11-17(13-20(19)23)24-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14,23H2,(H,24,25)
InChIKeyINVPDUQVRGBCMN-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.08
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide

N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide (PubChem CID 28866941) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide
PubChem CID28866941
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC NameN-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide
SMILESNc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H19ClN2O/c22-19-12-11-17(13-20(19)23)24-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14,23H2,(H,24,25)
InChIKeyINVPDUQVRGBCMN-UHFFFAOYSA-N
XLogP5.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
N-(3-acetamidophenyl)-3,3-diphenylpropanamide
CID 1190632
N-(2-aminophenyl)-3,3-diphenylpropanamide
CID 28866940
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(2S)-4-(3,4-dichloroanilino)-4-oxo-2-[(1S)-1-phenylethyl]butanoic acid
CID 1125985
5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 45428443
N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60800025
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide (CID 28866941) is N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide is Nc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide?
The InChIKey is INVPDUQVRGBCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c22-19-12-11-17(13-20(19)23)24-21(25)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14,23H2,(H,24,25).
What are the key properties of N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide?
N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide has a molecular weight of 350.85 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 28866941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).