(3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate

C16H15FN2O3 — CID 4090019

IUPAC(3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate
SMILESCc1cccc(COC(=O)NNC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O3/c1-11-5-4-6-12(9-11)10-22-16(21)19-18-15(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyFJGZYUJPTRZNEL-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.71
Rot. Bonds3

About (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate

(3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate (PubChem CID 4090019) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate.

Molecular Properties

Compound Name(3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate
PubChem CID4090019
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name(3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate
SMILESCc1cccc(COC(=O)NNC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O3/c1-11-5-4-6-12(9-11)10-22-16(21)19-18-15(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyFJGZYUJPTRZNEL-UHFFFAOYSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]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 (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate?
The IUPAC name of (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate (CID 4090019) is (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate.
What is the SMILES notation for (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate?
The canonical SMILES for (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate is Cc1cccc(COC(=O)NNC(=O)c2ccccc2F)c1.
What is the InChIKey of (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate?
The InChIKey is FJGZYUJPTRZNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-11-5-4-6-12(9-11)10-22-16(21)19-18-15(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate?
(3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate has a molecular weight of 302.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate is sourced from PubChem (CID 4090019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).