N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide

C23H21ClN2O2 — CID 2568324

IUPACN-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H21ClN2O2/c24-20-12-10-18(11-13-20)23(28)25-15-14-22(27)26-21-9-5-4-8-19(21)16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)(H,26,27)
InChIKeyAMFSMQKIUYGSEW-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.69
Rot. Bonds7

About N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide

N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide (PubChem CID 2568324) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide
PubChem CID2568324
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H21ClN2O2/c24-20-12-10-18(11-13-20)23(28)25-15-14-22(27)26-21-9-5-4-8-19(21)16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)(H,26,27)
InChIKeyAMFSMQKIUYGSEW-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide
CID 26888649
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
N-(2-benzylphenyl)-4-hydroxybutanamide
CID 79205131
4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
CID 26905347
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
N-[3-[2-(benzylcarbamothioyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 7977854
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
N-[3-(2-ethylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2674902
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
CID 55807341
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide
CID 17154606

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide?
The IUPAC name of N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide (CID 2568324) is N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide?
The InChIKey is AMFSMQKIUYGSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-20-12-10-18(11-13-20)23(28)25-15-14-22(27)26-21-9-5-4-8-19(21)16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)(H,26,27).
What are the key properties of N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide?
N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide has a molecular weight of 392.89 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide is sourced from PubChem (CID 2568324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).