4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide

C19H19ClN2O3 — CID 134039930

IUPAC4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
SMILESO=C(CCC(=O)c1ccccc1)NCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c20-16-8-6-15(7-9-16)19(25)22-13-12-21-18(24)11-10-17(23)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,24)(H,22,25)
InChIKeyKJVLGUHUKKVLQJ-UHFFFAOYSA-N
MW358.82 g/mol
LogP2.85
Rot. Bonds8

About 4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide

4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide (PubChem CID 134039930) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.82 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
PubChem CID134039930
Molecular FormulaC19H19ClN2O3
Molecular Weight358.82 g/mol
Exact Mass358.11
IUPAC Name4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
SMILESO=C(CCC(=O)c1ccccc1)NCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c20-16-8-6-15(7-9-16)19(25)22-13-12-21-18(24)11-10-17(23)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,24)(H,22,25)
InChIKeyKJVLGUHUKKVLQJ-UHFFFAOYSA-N
XLogP2.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 134046513
3-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539491
N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119384394
(4-chlorophenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 9333216
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
2-chloro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108539580
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide (CID 134039930) is 4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide is O=C(CCC(=O)c1ccccc1)NCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide?
The InChIKey is KJVLGUHUKKVLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-16-8-6-15(7-9-16)19(25)22-13-12-21-18(24)11-10-17(23)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,24)(H,22,25).
What are the key properties of 4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide?
4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide has a molecular weight of 358.82 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide is sourced from PubChem (CID 134039930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).