(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid

C15H14FNO2 — CID 90875734

IUPAC(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
SMILESCc1cccc(N(Cc2ccc(F)cc2)C(=O)O)c1
InChIInChI=1S/C15H14FNO2/c1-11-3-2-4-14(9-11)17(15(18)19)10-12-5-7-13(16)8-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyQGEJMUPHKVYZRF-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.82
Rot. Bonds3

About (4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid

(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid (PubChem CID 90875734) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
PubChem CID90875734
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
SMILESCc1cccc(N(Cc2ccc(F)cc2)C(=O)O)c1
InChIInChI=1S/C15H14FNO2/c1-11-3-2-4-14(9-11)17(15(18)19)10-12-5-7-13(16)8-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyQGEJMUPHKVYZRF-UHFFFAOYSA-N
XLogP3.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[N-[(4-fluorophenyl)methyl]-3-methylanilino]propanoic acid
CID 82317416
N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 42859460
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 10946730
2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 39437129
N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 57214135
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108962651
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
[(3R)-1-(1-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)carbamate
CID 172757488
1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360355
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid?
The IUPAC name of (4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid (CID 90875734) is (4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid.
What is the SMILES notation for (4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid?
The canonical SMILES for (4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid is Cc1cccc(N(Cc2ccc(F)cc2)C(=O)O)c1.
What is the InChIKey of (4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid?
The InChIKey is QGEJMUPHKVYZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-11-3-2-4-14(9-11)17(15(18)19)10-12-5-7-13(16)8-6-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of (4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid?
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid has a molecular weight of 259.28 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid is sourced from PubChem (CID 90875734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).