methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate

C15H15FN2O2 — CID 43730341

IUPACmethyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O2/c1-20-15(19)18-13-8-6-12(7-9-13)17-10-11-4-2-3-5-14(11)16/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyMRTWMTYREBFFPV-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.62
Rot. Bonds4

About methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate

methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate (PubChem CID 43730341) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
PubChem CID43730341
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namemethyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O2/c1-20-15(19)18-13-8-6-12(7-9-13)17-10-11-4-2-3-5-14(11)16/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyMRTWMTYREBFFPV-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
CID 43730286
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982381
methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
CID 60981212
2-(2-fluorophenyl)-N-[4-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 112982033
methyl N-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 61391356
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009
ethyl N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 129011684

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate (CID 43730341) is methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate is COC(=O)Nc1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate?
The InChIKey is MRTWMTYREBFFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-20-15(19)18-13-8-6-12(7-9-13)17-10-11-4-2-3-5-14(11)16/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate?
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate has a molecular weight of 274.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 43730341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).