[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid

C12H15ClN2O2 — CID 155341898

IUPAC[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2O2/c13-10-3-1-9(2-4-10)7-15-6-5-11(8-15)14-12(16)17/h1-4,11,14H,5-8H2,(H,16,17)
InChIKeyOPPNBRGJMXGZRO-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.18
Rot. Bonds3

About [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid

[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid (PubChem CID 155341898) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
PubChem CID155341898
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2O2/c13-10-3-1-9(2-4-10)7-15-6-5-11(8-15)14-12(16)17/h1-4,11,14H,5-8H2,(H,16,17)
InChIKeyOPPNBRGJMXGZRO-UHFFFAOYSA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 54551711
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 8816232
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid (CID 155341898) is [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid is O=C(O)NC1CCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is OPPNBRGJMXGZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-3-1-9(2-4-10)7-15-6-5-11(8-15)14-12(16)17/h1-4,11,14H,5-8H2,(H,16,17).
What are the key properties of [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid?
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid has a molecular weight of 254.72 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 155341898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).