N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide

C15H20ClN3O2 — CID 119317102

IUPACN-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)C2CCCN2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-10-4-5-12(11(16)9-10)19-14(20)6-8-18-15(21)13-3-2-7-17-13/h4-5,9,13,17H,2-3,6-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyKGSCAJPUDYGXAO-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.85
Rot. Bonds5

About N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide

N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 119317102) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID119317102
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)C2CCCN2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-10-4-5-12(11(16)9-10)19-14(20)6-8-18-15(21)13-3-2-7-17-13/h4-5,9,13,17H,2-3,6-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyKGSCAJPUDYGXAO-UHFFFAOYSA-N
XLogP1.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
ethyl N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]carbamate
CID 47064936
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
N-(2-chloro-4-methylphenyl)-3-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111869186
(2R)-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 103795515
N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 119297979
N-(2-chloro-4-methylphenyl)-3-[[(2S,3R)-2-methyloxolan-3-yl]amino]propanamide
CID 97072287
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide (CID 119317102) is N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)CCNC(=O)C2CCCN2)c(Cl)c1.
What is the InChIKey of N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is KGSCAJPUDYGXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10-4-5-12(11(16)9-10)19-14(20)6-8-18-15(21)13-3-2-7-17-13/h4-5,9,13,17H,2-3,6-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide?
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119317102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).