N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide

C20H23N3O2 — CID 30218966

IUPACN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c(C)c1
InChIInChI=1S/C20H23N3O2/c1-13-5-7-16(14(2)11-13)20(25)22-17-12-15(19(21)24)6-8-18(17)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyDBEMDOJXEGCRIB-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.25
Rot. Bonds4

About N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide (PubChem CID 30218966) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
PubChem CID30218966
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c(C)c1
InChIInChI=1S/C20H23N3O2/c1-13-5-7-16(14(2)11-13)20(25)22-17-12-15(19(21)24)6-8-18(17)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyDBEMDOJXEGCRIB-UHFFFAOYSA-N
XLogP3.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134048899
3-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 46700238
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(2-methylbenzoyl)amino]benzoic acid
CID 46285303
5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 41269492
ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 46700228
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 25384816
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 75413856
4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380
3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41479452
3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55528932

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide (CID 30218966) is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c(C)c1.
What is the InChIKey of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide?
The InChIKey is DBEMDOJXEGCRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-5-7-16(14(2)11-13)20(25)22-17-12-15(19(21)24)6-8-18(17)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide?
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 30218966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).