2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide

C20H22ClN3O3 — CID 55807341

IUPAC2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C20H22ClN3O3/c1-13(2)23-20(27)16-9-8-15(21)12-17(16)24-18(25)10-11-22-19(26)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyUOJWNQJWZSQSBK-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.24
Rot. Bonds7

About 2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide

2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide (PubChem CID 55807341) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
PubChem CID55807341
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C20H22ClN3O3/c1-13(2)23-20(27)16-9-8-15(21)12-17(16)24-18(25)10-11-22-19(26)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyUOJWNQJWZSQSBK-UHFFFAOYSA-N
XLogP3.24
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
2-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55807245
2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 120608743
N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
CID 39753632
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 55807308
2-(3-acetamidopropanoylamino)-4-chlorobenzoic acid
CID 43170489
4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide
CID 112837542

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide?
The IUPAC name of 2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide (CID 55807341) is 2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of 2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide?
The InChIKey is UOJWNQJWZSQSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-13(2)23-20(27)16-9-8-15(21)12-17(16)24-18(25)10-11-22-19(26)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide?
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide has a molecular weight of 387.87 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide is sourced from PubChem (CID 55807341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).