ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate

C16H15FN2O3 — CID 847946

IUPACethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O3/c1-2-22-16(21)19-12-7-5-6-11(10-12)18-15(20)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyMLOQKPLXTJGMHU-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.65
Rot. Bonds4

About ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate

ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate (PubChem CID 847946) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
PubChem CID847946
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Nameethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O3/c1-2-22-16(21)19-12-7-5-6-11(10-12)18-15(20)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyMLOQKPLXTJGMHU-UHFFFAOYSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl [4-[[3-[(2-fluorobenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930744
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
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CID 9375024
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 17064818
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate (CID 847946) is ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate is CCOC(=O)Nc1cccc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate?
The InChIKey is MLOQKPLXTJGMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-2-22-16(21)19-12-7-5-6-11(10-12)18-15(20)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate?
ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate has a molecular weight of 302.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 847946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).