N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide

C14H18ClN3O2 — CID 63715613

IUPACN-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)C2CNCC2C)c1
InChIInChI=1S/C14H18ClN3O2/c1-8-6-17-7-10(8)14(20)18-12-5-9(13(19)16-2)3-4-11(12)15/h3-5,8,10,17H,6-7H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyFJZRXSZGLRLIEX-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.49
Rot. Bonds3

About N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide

N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63715613) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63715613
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)C2CNCC2C)c1
InChIInChI=1S/C14H18ClN3O2/c1-8-6-17-7-10(8)14(20)18-12-5-9(13(19)16-2)3-4-11(12)15/h3-5,8,10,17H,6-7H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyFJZRXSZGLRLIEX-UHFFFAOYSA-N
XLogP1.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63715280
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63720795
4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63714278
N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55228625
N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55231498
4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 24688502
N-(3-chloro-4-cyanophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63715589
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
4-chloro-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]benzoic acid
CID 98540711
N-(4-bromo-2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 107790239
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
CID 43721027

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide (CID 63715613) is N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide is CNC(=O)c1ccc(Cl)c(NC(=O)C2CNCC2C)c1.
What is the InChIKey of N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is FJZRXSZGLRLIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-8-6-17-7-10(8)14(20)18-12-5-9(13(19)16-2)3-4-11(12)15/h3-5,8,10,17H,6-7H2,1-2H3,(H,16,19)(H,18,20).
What are the key properties of N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide?
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).