N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide

C13H17ClN2O2 — CID 103832911

IUPACN-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cc(C)ccc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-8-3-4-10(14)11(5-8)16-13(17)12-6-9(18-2)7-15-12/h3-5,9,12,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyXNDVMDXNTRNIHW-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.96
Rot. Bonds3

About N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide

N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 103832911) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID103832911
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cc(C)ccc2Cl)C1
InChIInChI=1S/C13H17ClN2O2/c1-8-3-4-10(14)11(5-8)16-13(17)12-6-9(18-2)7-15-12/h3-5,9,12,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyXNDVMDXNTRNIHW-UHFFFAOYSA-N
XLogP1.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-1,3-benzodioxol-5-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61215348
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
N-(4-bromo-2,3-dichlorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 107790383
N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 83079301
methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
CID 61213741
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214476
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
4-methoxy-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327667
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 61214477
2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213078

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide (CID 103832911) is N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2cc(C)ccc2Cl)C1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is XNDVMDXNTRNIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-3-4-10(14)11(5-8)16-13(17)12-6-9(18-2)7-15-12/h3-5,9,12,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 103832911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).