methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate

C17H17FN2O4 — CID 87019008

IUPACmethyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C17H17FN2O4/c1-23-13-7-8-14(15(18)9-13)16(21)19-10-11-3-5-12(6-4-11)20-17(22)24-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBYQLEYCOKZRMKI-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.94
Rot. Bonds5

About methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate

methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate (PubChem CID 87019008) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
PubChem CID87019008
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Namemethyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2ccc(OC)cc2F)cc1
InChIInChI=1S/C17H17FN2O4/c1-23-13-7-8-14(15(18)9-13)16(21)19-10-11-3-5-12(6-4-11)20-17(22)24-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBYQLEYCOKZRMKI-UHFFFAOYSA-N
XLogP2.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]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

2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234
2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38403308
methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate
CID 47057995
methyl N-[4-[[(4-chloro-2-iodobenzoyl)amino]methyl]phenyl]carbamate
CID 55846445
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 86990106
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
methyl N-[4-[[(5-chloro-2-hydroxybenzoyl)amino]methyl]phenyl]carbamate
CID 47058003
2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 51332897
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate (CID 87019008) is methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2ccc(OC)cc2F)cc1.
What is the InChIKey of methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate?
The InChIKey is BYQLEYCOKZRMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-23-13-7-8-14(15(18)9-13)16(21)19-10-11-3-5-12(6-4-11)20-17(22)24-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate?
methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate has a molecular weight of 332.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 87019008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).