N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide

C22H21ClN2O — CID 20504940

IUPACN-[3-(3-chloroanilino)-3-phenylpropyl]benzamide
SMILESO=C(NCCC(Nc1cccc(Cl)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClN2O/c23-19-12-7-13-20(16-19)25-21(17-8-3-1-4-9-17)14-15-24-22(26)18-10-5-2-6-11-18/h1-13,16,21,25H,14-15H2,(H,24,26)
InChIKeyUTMMQMBPMQCBMN-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.31
Rot. Bonds7

About N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide

N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide (PubChem CID 20504940) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-chloroanilino)-3-phenylpropyl]benzamide
PubChem CID20504940
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC NameN-[3-(3-chloroanilino)-3-phenylpropyl]benzamide
SMILESO=C(NCCC(Nc1cccc(Cl)c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClN2O/c23-19-12-7-13-20(16-19)25-21(17-8-3-1-4-9-17)14-15-24-22(26)18-10-5-2-6-11-18/h1-13,16,21,25H,14-15H2,(H,24,26)
InChIKeyUTMMQMBPMQCBMN-UHFFFAOYSA-N
XLogP5.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-anilino-3-(3-butylphenyl)propyl]benzamide
CID 20505007
4-(3-chloroanilino)-4-phenylbutan-2-one
CID 102258226
N-[3-(2-methylanilino)-3-phenylpropyl]benzamide
CID 20504938
N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
CID 95787778
2-(3-chloroanilino)-1,3-diphenylpropane-1,3-dione
CID 123487664
3-(3-chloroanilino)-3-(3,4-dichlorophenyl)-1-phenylpropan-1-one
CID 132592115
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
N-(3-phenylbutyl)benzamide
CID 62403316
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
2-amino-N-[3,3-bis(3-chlorophenyl)propyl]pyridine-4-carboxamide
CID 58768975

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide?
The IUPAC name of N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide (CID 20504940) is N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide?
The canonical SMILES for N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide is O=C(NCCC(Nc1cccc(Cl)c1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide?
The InChIKey is UTMMQMBPMQCBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c23-19-12-7-13-20(16-19)25-21(17-8-3-1-4-9-17)14-15-24-22(26)18-10-5-2-6-11-18/h1-13,16,21,25H,14-15H2,(H,24,26).
What are the key properties of N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide?
N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide has a molecular weight of 364.88 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide is sourced from PubChem (CID 20504940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).