[1-(3-chlorophenyl)cyclopropyl]carbamic acid

C10H10ClNO2 — CID 122529573

IUPAC[1-(3-chlorophenyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C10H10ClNO2/c11-8-3-1-2-7(6-8)10(4-5-10)12-9(13)14/h1-3,6,12H,4-5H2,(H,13,14)
InChIKeyBHXYOKAQSHNENV-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.60
Rot. Bonds2

About [1-(3-chlorophenyl)cyclopropyl]carbamic acid

[1-(3-chlorophenyl)cyclopropyl]carbamic acid (PubChem CID 122529573) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is [1-(3-chlorophenyl)cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-(3-chlorophenyl)cyclopropyl]carbamic acid
PubChem CID122529573
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name[1-(3-chlorophenyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C10H10ClNO2/c11-8-3-1-2-7(6-8)10(4-5-10)12-9(13)14/h1-3,6,12H,4-5H2,(H,13,14)
InChIKeyBHXYOKAQSHNENV-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [1-(3-chlorophenyl)cyclopropyl]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

N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274
N-[1-(3-chlorophenyl)cyclopropyl]pyridine-2-carboxamide
CID 110444338
4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
2-amino-N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110459406
3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride
CID 120501433
[1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid
CID 155146217
N-[1-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(methylamino)propanamide
CID 119799433

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)cyclopropyl]carbamic acid?
The IUPAC name of [1-(3-chlorophenyl)cyclopropyl]carbamic acid (CID 122529573) is [1-(3-chlorophenyl)cyclopropyl]carbamic acid.
What is the SMILES notation for [1-(3-chlorophenyl)cyclopropyl]carbamic acid?
The canonical SMILES for [1-(3-chlorophenyl)cyclopropyl]carbamic acid is O=C(O)NC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)cyclopropyl]carbamic acid?
The InChIKey is BHXYOKAQSHNENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-3-1-2-7(6-8)10(4-5-10)12-9(13)14/h1-3,6,12H,4-5H2,(H,13,14).
What are the key properties of [1-(3-chlorophenyl)cyclopropyl]carbamic acid?
[1-(3-chlorophenyl)cyclopropyl]carbamic acid has a molecular weight of 211.65 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)cyclopropyl]carbamic acid is sourced from PubChem (CID 122529573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).