3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide

C19H21N3O2 — CID 17470127

IUPAC3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-4-6-14(7-5-13)19(24)21-16-12-15(18(20)23)8-9-17(16)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H2,20,23)(H,21,24)
InChIKeyKKJWYPSWUTVASI-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.95
Rot. Bonds4

About 3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide

3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide (PubChem CID 17470127) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
PubChem CID17470127
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-4-6-14(7-5-13)19(24)21-16-12-15(18(20)23)8-9-17(16)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H2,20,23)(H,21,24)
InChIKeyKKJWYPSWUTVASI-UHFFFAOYSA-N
XLogP2.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
3-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 46700238
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134048899
3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41479452
3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-4-piperidin-1-ylbenzamide
CID 51112972
ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 46700228
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 41269492
3-[[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 46512844
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 30778995

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide (CID 17470127) is 3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide is Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is KKJWYPSWUTVASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-4-6-14(7-5-13)19(24)21-16-12-15(18(20)23)8-9-17(16)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide?
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 323.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 17470127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).