N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide

C15H20ClN3O2 — CID 79378598

IUPACN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H20ClN3O2/c1-9-11(6-7-17-9)14(20)18-10-4-5-13(16)12(8-10)15(21)19(2)3/h4-5,8-9,11,17H,6-7H2,1-3H3,(H,18,20)
InChIKeyDMUKPEXJXBDEBK-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.98
Rot. Bonds3

About N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79378598) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79378598
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H20ClN3O2/c1-9-11(6-7-17-9)14(20)18-10-4-5-13(16)12(8-10)15(21)19(2)3/h4-5,8-9,11,17H,6-7H2,1-3H3,(H,18,20)
InChIKeyDMUKPEXJXBDEBK-UHFFFAOYSA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119718954
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66240431
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79389065
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388352
2-chloro-5-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 86851775

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide (CID 79378598) is N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1.
What is the InChIKey of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is DMUKPEXJXBDEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-9-11(6-7-17-9)14(20)18-10-4-5-13(16)12(8-10)15(21)19(2)3/h4-5,8-9,11,17H,6-7H2,1-3H3,(H,18,20).
What are the key properties of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79378598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).