2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate

C10H11ClFNO3 — CID 79349579

IUPAC2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)c(Cl)c1)OCCO
InChIInChI=1S/C10H11ClFNO3/c11-8-5-7(1-2-9(8)12)6-13-10(15)16-4-3-14/h1-2,5,14H,3-4,6H2,(H,13,15)
InChIKeyKBHGDQMADRFOSW-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.70
Rot. Bonds4

About 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate

2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate (PubChem CID 79349579) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
PubChem CID79349579
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)c(Cl)c1)OCCO
InChIInChI=1S/C10H11ClFNO3/c11-8-5-7(1-2-9(8)12)6-13-10(15)16-4-3-14/h1-2,5,14H,3-4,6H2,(H,13,15)
InChIKeyKBHGDQMADRFOSW-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate (CID 79349579) is 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate is O=C(NCc1ccc(F)c(Cl)c1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
The InChIKey is KBHGDQMADRFOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c11-8-5-7(1-2-9(8)12)6-13-10(15)16-4-3-14/h1-2,5,14H,3-4,6H2,(H,13,15).
What are the key properties of 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate?
2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate has a molecular weight of 247.65 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 79349579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).