phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate

C16H16FNO2 — CID 60655409

IUPACphenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
SMILESCCN(Cc1cccc(F)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H16FNO2/c1-2-18(12-13-7-6-8-14(17)11-13)16(19)20-15-9-4-3-5-10-15/h3-11H,2,12H2,1H3
InChIKeyVVZRDRSHJQIDQR-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.85
Rot. Bonds4

About phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate

phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate (PubChem CID 60655409) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
PubChem CID60655409
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Namephenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
SMILESCCN(Cc1cccc(F)c1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H16FNO2/c1-2-18(12-13-7-6-8-14(17)11-13)16(19)20-15-9-4-3-5-10-15/h3-11H,2,12H2,1H3
InChIKeyVVZRDRSHJQIDQR-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze phenyl N-ethyl-N-[(3-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

Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
(E)-4-[ethyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54874794
(4-benzylphenyl) N,N-diethylcarbamate
CID 22414998
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
phenyl 2-(3-fluorophenyl)acetate
CID 121272908
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
CID 61173559
3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
CID 106111947
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 81489842
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218

Frequently Asked Questions

What is the IUPAC name of phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate?
The IUPAC name of phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate (CID 60655409) is phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate.
What is the SMILES notation for phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate?
The canonical SMILES for phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate is CCN(Cc1cccc(F)c1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate?
The InChIKey is VVZRDRSHJQIDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-18(12-13-7-6-8-14(17)11-13)16(19)20-15-9-4-3-5-10-15/h3-11H,2,12H2,1H3.
What are the key properties of phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate?
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate has a molecular weight of 273.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 60655409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).