N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C14H18ClN3O2 — CID 119747432

IUPACN-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2CCNC2)cc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-18(2)14(20)11-4-3-10(7-12(11)15)17-13(19)9-5-6-16-8-9/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyRIKDCEJZHJOURB-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.59
Rot. Bonds3

About N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 119747432) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID119747432
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2CCNC2)cc1Cl
InChIInChI=1S/C14H18ClN3O2/c1-18(2)14(20)11-4-3-10(7-12(11)15)17-13(19)9-5-6-16-8-9/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyRIKDCEJZHJOURB-UHFFFAOYSA-N
XLogP1.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119742686
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55148926
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
(2S,4S)-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621694
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 119747432) is N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CN(C)C(=O)c1ccc(NC(=O)C2CCNC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is RIKDCEJZHJOURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-18(2)14(20)11-4-3-10(7-12(11)15)17-13(19)9-5-6-16-8-9/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,19).
What are the key properties of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119747432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).