4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide

C20H21Cl2N3O3 — CID 51121398

IUPAC4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2N3O3/c1-2-10-23-20(28)16-8-7-15(22)12-17(16)25-18(26)9-11-24-19(27)13-3-5-14(21)6-4-13/h3-8,12H,2,9-11H2,1H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyJSWKAZNWLKFOGI-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.89
Rot. Bonds8

About 4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide

4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide (PubChem CID 51121398) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is 4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
PubChem CID51121398
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC Name4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2N3O3/c1-2-10-23-20(28)16-8-7-15(22)12-17(16)25-18(26)9-11-24-19(27)13-3-5-14(21)6-4-13/h3-8,12H,2,9-11H2,1H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyJSWKAZNWLKFOGI-UHFFFAOYSA-N
XLogP3.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
CID 55807341
4-[5-chloro-2-(propylcarbamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133655
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
CID 139006181
4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55917656
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
CID 119714153
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide
CID 55896752

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide (CID 51121398) is 4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide?
The InChIKey is JSWKAZNWLKFOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-2-10-23-20(28)16-8-7-15(22)12-17(16)25-18(26)9-11-24-19(27)13-3-5-14(21)6-4-13/h3-8,12H,2,9-11H2,1H3,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of 4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide?
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide has a molecular weight of 422.31 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 51121398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).