1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide

C12H14Cl2N2O — CID 171323663

IUPAC1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O/c13-9-4-3-8(10(14)6-9)7-16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7H2,(H2,15,17)
InChIKeyZOVWYAUEHHHHRY-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide

1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 171323663) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID171323663
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O/c13-9-4-3-8(10(14)6-9)7-16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7H2,(H2,15,17)
InChIKeyZOVWYAUEHHHHRY-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 175978099
(2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 11234325
1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 114850863
1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 43169162
(2R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 119914283
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 64770224
1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carbothioamide
CID 103046598
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 75514745
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide (CID 171323663) is 1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ZOVWYAUEHHHHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-4-3-8(10(14)6-9)7-16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7H2,(H2,15,17).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide?
1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 171323663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).