benzyl-(2-fluorophenyl)carbamic acid

C14H12FNO2 — CID 67213416

IUPACbenzyl-(2-fluorophenyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C14H12FNO2/c15-12-8-4-5-9-13(12)16(14(17)18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKeyDANHRAODVFBLEG-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.51
Rot. Bonds3

About benzyl-(2-fluorophenyl)carbamic acid

benzyl-(2-fluorophenyl)carbamic acid (PubChem CID 67213416) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is benzyl-(2-fluorophenyl)carbamic acid.

Molecular Properties

Compound Namebenzyl-(2-fluorophenyl)carbamic acid
PubChem CID67213416
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Namebenzyl-(2-fluorophenyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C14H12FNO2/c15-12-8-4-5-9-13(12)16(14(17)18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKeyDANHRAODVFBLEG-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)-(2-phenylethyl)carbamic acid
CID 154111603
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-benzyl-N-(2-fluorophenyl)ethanimidamide
CID 155027785
(2-fluorophenyl)methyl-phenylcarbamic acid
CID 68974867
2-(N-acetyl-2-fluoroanilino)acetic acid
CID 28765395
3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
CID 113126703
(4-aminophenyl)-benzylcarbamic acid
CID 69046621
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
benzyl-(3-hydroxyphenyl)carbamic acid
CID 71093078
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-[2-fluoro-N-[(4-fluorophenyl)methyl]anilino]-2-methylpropanoic acid
CID 82317425
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935

Frequently Asked Questions

What is the IUPAC name of benzyl-(2-fluorophenyl)carbamic acid?
The IUPAC name of benzyl-(2-fluorophenyl)carbamic acid (CID 67213416) is benzyl-(2-fluorophenyl)carbamic acid.
What is the SMILES notation for benzyl-(2-fluorophenyl)carbamic acid?
The canonical SMILES for benzyl-(2-fluorophenyl)carbamic acid is O=C(O)N(Cc1ccccc1)c1ccccc1F.
What is the InChIKey of benzyl-(2-fluorophenyl)carbamic acid?
The InChIKey is DANHRAODVFBLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-8-4-5-9-13(12)16(14(17)18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18).
What are the key properties of benzyl-(2-fluorophenyl)carbamic acid?
benzyl-(2-fluorophenyl)carbamic 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 benzyl-(2-fluorophenyl)carbamic acid is sourced from PubChem (CID 67213416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).