N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide

C26H26ClN3O3 — CID 46464874

IUPACN-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
SMILESCC(NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H26ClN3O3/c1-18(21-9-5-10-23(17-21)30-26(33)19-7-3-2-4-8-19)29-24(31)11-6-16-28-25(32)20-12-14-22(27)15-13-20/h2-5,7-10,12-15,17-18H,6,11,16H2,1H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeyLWNPENUYYGZPOW-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.98
Rot. Bonds9

About N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide

N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide (PubChem CID 46464874) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
PubChem CID46464874
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC NameN-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
SMILESCC(NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H26ClN3O3/c1-18(21-9-5-10-23(17-21)30-26(33)19-7-3-2-4-8-19)29-24(31)11-6-16-28-25(32)20-12-14-22(27)15-13-20/h2-5,7-10,12-15,17-18H,6,11,16H2,1H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeyLWNPENUYYGZPOW-UHFFFAOYSA-N
XLogP4.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]carbamate
CID 55837379
N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 46456558
N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55693558
N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
4-chloro-N-[4-[[2-(dimethylamino)-1-phenylethyl]amino]-4-oxobutyl]benzamide
CID 86909670
N-[3-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 42960826
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide (CID 46464874) is N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide is CC(NC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide?
The InChIKey is LWNPENUYYGZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-18(21-9-5-10-23(17-21)30-26(33)19-7-3-2-4-8-19)29-24(31)11-6-16-28-25(32)20-12-14-22(27)15-13-20/h2-5,7-10,12-15,17-18H,6,11,16H2,1H3,(H,28,32)(H,29,31)(H,30,33).
What are the key properties of N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide?
N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide has a molecular weight of 463.97 g/mol, XLogP of 4.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide is sourced from PubChem (CID 46464874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).