(2-fluorophenyl)methyl-phenylcarbamic acid

C14H12FNO2 — CID 68974867

IUPAC(2-fluorophenyl)methyl-phenylcarbamic acid
SMILESO=C(O)N(Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C14H12FNO2/c15-13-9-5-4-6-11(13)10-16(14(17)18)12-7-2-1-3-8-12/h1-9H,10H2,(H,17,18)
InChIKeyVMBMVTIOFLXEGN-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.51
Rot. Bonds3

About (2-fluorophenyl)methyl-phenylcarbamic acid

(2-fluorophenyl)methyl-phenylcarbamic acid (PubChem CID 68974867) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-phenylcarbamic acid.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-phenylcarbamic acid
PubChem CID68974867
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(2-fluorophenyl)methyl-phenylcarbamic acid
SMILESO=C(O)N(Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C14H12FNO2/c15-13-9-5-4-6-11(13)10-16(14(17)18)12-7-2-1-3-8-12/h1-9H,10H2,(H,17,18)
InChIKeyVMBMVTIOFLXEGN-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-phenylurea
CID 108900086
benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-ethyl-N-phenylacetamide
CID 113162234
hydroxymethyl(phenyl)carbamic acid
CID 69165687
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-phenylcarbamic acid?
The IUPAC name of (2-fluorophenyl)methyl-phenylcarbamic acid (CID 68974867) is (2-fluorophenyl)methyl-phenylcarbamic acid.
What is the SMILES notation for (2-fluorophenyl)methyl-phenylcarbamic acid?
The canonical SMILES for (2-fluorophenyl)methyl-phenylcarbamic acid is O=C(O)N(Cc1ccccc1F)c1ccccc1.
What is the InChIKey of (2-fluorophenyl)methyl-phenylcarbamic acid?
The InChIKey is VMBMVTIOFLXEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-13-9-5-4-6-11(13)10-16(14(17)18)12-7-2-1-3-8-12/h1-9H,10H2,(H,17,18).
What are the key properties of (2-fluorophenyl)methyl-phenylcarbamic acid?
(2-fluorophenyl)methyl-phenylcarbamic acid has a molecular weight of 245.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-phenylcarbamic acid is sourced from PubChem (CID 68974867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).