ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate

C10H10ClF2NO3 — CID 60637785

IUPACethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF2NO3/c1-2-16-10(15)14-6-3-4-8(7(11)5-6)17-9(12)13/h3-5,9H,2H2,1H3,(H,14,15)
InChIKeyHIQRPGYGJWYPSO-UHFFFAOYSA-N
MW265.64 g/mol
LogP3.51
Rot. Bonds4

About ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate

ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate (PubChem CID 60637785) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
PubChem CID60637785
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Nameethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF2NO3/c1-2-16-10(15)14-6-3-4-8(7(11)5-6)17-9(12)13/h3-5,9H,2H2,1H3,(H,14,15)
InChIKeyHIQRPGYGJWYPSO-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate 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

ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 79806067
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119676740
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 65229433
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267096
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate?
The IUPAC name of ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate (CID 60637785) is ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate is CCOC(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate?
The InChIKey is HIQRPGYGJWYPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c1-2-16-10(15)14-6-3-4-8(7(11)5-6)17-9(12)13/h3-5,9H,2H2,1H3,(H,14,15).
What are the key properties of ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate?
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate has a molecular weight of 265.64 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 60637785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).