[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid

C9H9ClFNO3 — CID 138733242

IUPAC[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
SMILESO=C(O)N[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNO3/c10-6-2-1-5(3-7(6)11)8(4-13)12-9(14)15/h1-3,8,12-13H,4H2,(H,14,15)/t8-/m1/s1
InChIKeyOQOQZUNPZBNIOT-MRVPVSSYSA-N
MW233.63 g/mol
LogP1.78
Rot. Bonds3

About [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid

[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid (PubChem CID 138733242) has the molecular formula C9H9ClFNO3 and a molecular weight of 233.63 g/mol. Its IUPAC name is [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
PubChem CID138733242
Molecular FormulaC9H9ClFNO3
Molecular Weight233.63 g/mol
Exact Mass233.03
IUPAC Name[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
SMILESO=C(O)N[C@H](CO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNO3/c10-6-2-1-5(3-7(6)11)8(4-13)12-9(14)15/h1-3,8,12-13H,4H2,(H,14,15)/t8-/m1/s1
InChIKeyOQOQZUNPZBNIOT-MRVPVSSYSA-N
XLogP1.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]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-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 86800518
4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 99699618
N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97259860
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
CID 75498486
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 97260195
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
CID 142863332
1-(azepan-1-yl)-2-[[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]ethanone
CID 97349144
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(methoxymethyl)thiophene-2-carboxamide
CID 110009871
(3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 78974752
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid?
The IUPAC name of [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid (CID 138733242) is [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid?
The canonical SMILES for [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid is O=C(O)N[C@H](CO)c1ccc(Cl)c(F)c1.
What is the InChIKey of [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid?
The InChIKey is OQOQZUNPZBNIOT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9ClFNO3/c10-6-2-1-5(3-7(6)11)8(4-13)12-9(14)15/h1-3,8,12-13H,4H2,(H,14,15)/t8-/m1/s1.
What are the key properties of [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid?
[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid has a molecular weight of 233.63 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid is sourced from PubChem (CID 138733242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).