4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide

C20H24ClN3O2 — CID 123537340

IUPAC4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide
SMILESCCCN(C)c1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-14-24(2)18-10-8-17(9-11-18)23-19(25)12-13-22-20(26)15-4-6-16(21)7-5-15/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyCMCZWSCYLMNCAX-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.94
Rot. Bonds8

About 4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide

4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide (PubChem CID 123537340) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide
PubChem CID123537340
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide
SMILESCCCN(C)c1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-14-24(2)18-10-8-17(9-11-18)23-19(25)12-13-22-20(26)15-4-6-16(21)7-5-15/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyCMCZWSCYLMNCAX-UHFFFAOYSA-N
XLogP3.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
CID 9153985
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9494370
N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide
CID 112985317
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
N-(4-chlorophenyl)-3-(dipropylamino)propanamide
CID 109033132
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]-1,3-benzothiazole-6-carboxamide
CID 100787369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide (CID 123537340) is 4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide is CCCN(C)c1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide?
The InChIKey is CMCZWSCYLMNCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-14-24(2)18-10-8-17(9-11-18)23-19(25)12-13-22-20(26)15-4-6-16(21)7-5-15/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide has a molecular weight of 373.88 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 123537340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).