ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate

C12H16FNO2 — CID 117061413

IUPACethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate
SMILESCCOC(=O)N(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C12H16FNO2/c1-4-16-12(15)14(9(2)3)11-7-5-10(13)6-8-11/h5-9H,4H2,1-3H3
InChIKeyBYEIFKWCXHVHSX-UHFFFAOYSA-N
MW225.26 g/mol
LogP3.20
Rot. Bonds3

About ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate

ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate (PubChem CID 117061413) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate
PubChem CID117061413
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Nameethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate
SMILESCCOC(=O)N(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C12H16FNO2/c1-4-16-12(15)14(9(2)3)11-7-5-10(13)6-8-11/h5-9H,4H2,1-3H3
InChIKeyBYEIFKWCXHVHSX-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate 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-(4-fluorophenyl)-N-propan-2-ylpropanamide
CID 18339665
N-(4-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxy-N-propan-2-ylacetamide
CID 169440701
[2-(4-fluoro-N-propan-2-ylanilino)-2-oxoethyl] acetate
CID 10220637
propyl N-phenyl-N-propan-2-ylcarbamate
CID 71384708
[2-(4-fluoro-N-propan-2-ylanilino)-1-hydroxy-2-oxoethyl] acetate
CID 140995964
N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 88710742
ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 124908313
ethyl 3-(N-ethoxycarbonylanilino)-2-methylbutanoate
CID 134521705
ethyl 3-(N-amino-4-fluoroanilino)-3-oxopropanoate
CID 154456098
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate
CID 91621124
N-ethyl-N-(4-fluorophenyl)-4-hydroxypentanamide
CID 79192647

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate?
The IUPAC name of ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate (CID 117061413) is ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate?
The canonical SMILES for ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate is CCOC(=O)N(c1ccc(F)cc1)C(C)C.
What is the InChIKey of ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate?
The InChIKey is BYEIFKWCXHVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-4-16-12(15)14(9(2)3)11-7-5-10(13)6-8-11/h5-9H,4H2,1-3H3.
What are the key properties of ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate?
ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate has a molecular weight of 225.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 117061413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).