N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C15H21ClN2O — CID 106979641

IUPACN-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C(C)C)CCNC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10(2)15(6-7-17-9-15)14(19)18-13-5-4-11(3)8-12(13)16/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyJTUVBXARRJCZGB-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.22
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979641) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979641
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C(C)C)CCNC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10(2)15(6-7-17-9-15)14(19)18-13-5-4-11(3)8-12(13)16/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,18,19)
InChIKeyJTUVBXARRJCZGB-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
N-(5-methyl-2-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981171
N-(2,6-dibromo-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979652
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981315
4-methyl-3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106979941
N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908
3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide
CID 106979653
4-bromo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980315
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979918
N-(4-bromo-5-fluoro-2-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981313

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979641) is N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2(C(C)C)CCNC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is JTUVBXARRJCZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10(2)15(6-7-17-9-15)14(19)18-13-5-4-11(3)8-12(13)16/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,18,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).