N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide

C19H21ClN2O2 — CID 110309420

IUPACN-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
SMILESO=C(CCCc1ccc(Cl)cc1)NCCNC(=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O2/c20-17-11-9-15(10-12-17)5-4-8-18(23)21-13-14-22-19(24)16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,21,23)(H,22,24)
InChIKeyREJSZWWAQYHEAT-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.21
Rot. Bonds8

About N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide

N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide (PubChem CID 110309420) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
PubChem CID110309420
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
SMILESO=C(CCCc1ccc(Cl)cc1)NCCNC(=O)c1ccccc1
InChIInChI=1S/C19H21ClN2O2/c20-17-11-9-15(10-12-17)5-4-8-18(23)21-13-14-22-19(24)16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,21,23)(H,22,24)
InChIKeyREJSZWWAQYHEAT-UHFFFAOYSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-pyrrol-1-ylbenzamide
CID 108542293
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 70785091
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540157
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide (CID 110309420) is N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide is O=C(CCCc1ccc(Cl)cc1)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide?
The InChIKey is REJSZWWAQYHEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-11-9-15(10-12-17)5-4-8-18(23)21-13-14-22-19(24)16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide?
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide has a molecular weight of 344.84 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide is sourced from PubChem (CID 110309420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).