N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

C14H18BrN3O2 — CID 119312487

IUPACN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)C2CCCN2)ccc1Br
InChIInChI=1S/C14H18BrN3O2/c1-9-7-10(4-5-11(9)15)18-13(19)8-17-14(20)12-3-2-6-16-12/h4-5,7,12,16H,2-3,6,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyOCNANUKHHZOXME-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 119312487) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID119312487
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)C2CCCN2)ccc1Br
InChIInChI=1S/C14H18BrN3O2/c1-9-7-10(4-5-11(9)15)18-13(19)8-17-14(20)12-3-2-6-16-12/h4-5,7,12,16H,2-3,6,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyOCNANUKHHZOXME-UHFFFAOYSA-N
XLogP1.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629586
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747
N-[2-(4-chloroanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119302426
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119312039
N-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 119305288
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10419946
2-bromo-5-(piperidine-2-carbonylamino)benzoic acid
CID 115296363
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119309190

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 119312487) is N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is Cc1cc(NC(=O)CNC(=O)C2CCCN2)ccc1Br.
What is the InChIKey of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is OCNANUKHHZOXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-9-7-10(4-5-11(9)15)18-13(19)8-17-14(20)12-3-2-6-16-12/h4-5,7,12,16H,2-3,6,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119312487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).