4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide

C26H27ClN2O2 — CID 2545215

IUPAC4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27ClN2O2/c27-23-15-13-22(14-16-23)26(31)29-18-7-12-25(30)28-19-17-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,24H,7,12,17-19H2,(H,28,30)(H,29,31)
InChIKeyOOMGRUIXFBUIQG-UHFFFAOYSA-N
MW434.97 g/mol
LogP5.19
Rot. Bonds10

About 4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide

4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide (PubChem CID 2545215) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
PubChem CID2545215
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27ClN2O2/c27-23-15-13-22(14-16-23)26(31)29-18-7-12-25(30)28-19-17-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,24H,7,12,17-19H2,(H,28,30)(H,29,31)
InChIKeyOOMGRUIXFBUIQG-UHFFFAOYSA-N
XLogP5.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.19
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

1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
CID 119237285
4-chloro-N-[4-[[2-(dimethylamino)-1-phenylethyl]amino]-4-oxobutyl]benzamide
CID 86909670
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide
CID 42145645
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide (CID 2545215) is 4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide?
The InChIKey is OOMGRUIXFBUIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c27-23-15-13-22(14-16-23)26(31)29-18-7-12-25(30)28-19-17-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,24H,7,12,17-19H2,(H,28,30)(H,29,31).
What are the key properties of 4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide?
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide has a molecular weight of 434.97 g/mol, XLogP of 5.19, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 2545215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).