propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate

C10H11ClFNO2 — CID 107364692

IUPACpropan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
SMILESCC(C)OC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-6(2)15-10(14)13-9-4-7(11)3-8(12)5-9/h3-6H,1-2H3,(H,13,14)
InChIKeyGBMHFHUSRCFEIW-UHFFFAOYSA-N
MW231.65 g/mol
LogP3.44
Rot. Bonds2

About propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate

propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate (PubChem CID 107364692) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
PubChem CID107364692
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Namepropan-2-yl N-(3-chloro-5-fluorophenyl)carbamate
SMILESCC(C)OC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H11ClFNO2/c1-6(2)15-10(14)13-9-4-7(11)3-8(12)5-9/h3-6H,1-2H3,(H,13,14)
InChIKeyGBMHFHUSRCFEIW-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze propan-2-yl N-(3-chloro-5-fluorophenyl)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

propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
CID 137476904
2-(3-chloro-5-fluoroanilino)propanoic acid
CID 107363833
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea
CID 107370312
5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide
CID 107365873
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
propan-2-yl N-(3,5-difluoro-4-prop-2-enylphenyl)carbamate
CID 91552777
methyl 5-(3-chloro-5-fluoroanilino)-5-oxopentanoate
CID 86817129
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 51062424
2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide
CID 107365072
5-[(3-chloro-5-fluorophenyl)carbamoylamino]hexanoic acid
CID 107368743

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate?
The IUPAC name of propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate (CID 107364692) is propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate is CC(C)OC(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate?
The InChIKey is GBMHFHUSRCFEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-6(2)15-10(14)13-9-4-7(11)3-8(12)5-9/h3-6H,1-2H3,(H,13,14).
What are the key properties of propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate?
propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate has a molecular weight of 231.65 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-chloro-5-fluorophenyl)carbamate is sourced from PubChem (CID 107364692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).