N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide

C15H21ClN2O — CID 106973980

IUPACN-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(C)c(Cl)c2)CCCN1
InChIInChI=1S/C15H21ClN2O/c1-3-7-15(8-4-9-17-15)14(19)18-12-6-5-11(2)13(16)10-12/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyJOQMYFICAMKSKC-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.51
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide

N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106973980) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106973980
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(C)c(Cl)c2)CCCN1
InChIInChI=1S/C15H21ClN2O/c1-3-7-15(8-4-9-17-15)14(19)18-12-6-5-11(2)13(16)10-12/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,19)
InChIKeyJOQMYFICAMKSKC-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974366
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
N-(1H-indazol-6-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974446
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974156
N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974512
N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974400

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide (CID 106973980) is N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2ccc(C)c(Cl)c2)CCCN1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is JOQMYFICAMKSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-7-15(8-4-9-17-15)14(19)18-12-6-5-11(2)13(16)10-12/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106973980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).