3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide

C22H32ClN3O3 — CID 143111105

IUPAC3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NC(C(=O)N(C)C2CCCC2)C(C)(C)C)cc1Cl
InChIInChI=1S/C22H32ClN3O3/c1-6-18(27)24-17-12-11-14(13-16(17)23)20(28)25-19(22(2,3)4)21(29)26(5)15-9-7-8-10-15/h11-13,15,19H,6-10H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyGZVQDMIPRXBBRR-UHFFFAOYSA-N
MW421.97 g/mol
LogP4.23
Rot. Bonds6

About 3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide

3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide (PubChem CID 143111105) has the molecular formula C22H32ClN3O3 and a molecular weight of 421.97 g/mol. Its IUPAC name is 3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide
PubChem CID143111105
Molecular FormulaC22H32ClN3O3
Molecular Weight421.97 g/mol
Exact Mass421.21
IUPAC Name3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NC(C(=O)N(C)C2CCCC2)C(C)(C)C)cc1Cl
InChIInChI=1S/C22H32ClN3O3/c1-6-18(27)24-17-12-11-14(13-16(17)23)20(28)25-19(22(2,3)4)21(29)26(5)15-9-7-8-10-15/h11-13,15,19H,6-10H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyGZVQDMIPRXBBRR-UHFFFAOYSA-N
XLogP4.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide?
The IUPAC name of 3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide (CID 143111105) is 3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide.
What is the SMILES notation for 3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide?
The canonical SMILES for 3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NC(C(=O)N(C)C2CCCC2)C(C)(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide?
The InChIKey is GZVQDMIPRXBBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O3/c1-6-18(27)24-17-12-11-14(13-16(17)23)20(28)25-19(22(2,3)4)21(29)26(5)15-9-7-8-10-15/h11-13,15,19H,6-10H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of 3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide?
3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide has a molecular weight of 421.97 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[cyclopentyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-4-(propanoylamino)benzamide is sourced from PubChem (CID 143111105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).