(2-benzyl-4-fluorophenyl) carbamate

C14H12FNO2 — CID 150789163

IUPAC(2-benzyl-4-fluorophenyl) carbamate
SMILESNC(=O)Oc1ccc(F)cc1Cc1ccccc1
InChIInChI=1S/C14H12FNO2/c15-12-6-7-13(18-14(16)17)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,17)
InChIKeyKDMCUZLUTLGZKD-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.87
Rot. Bonds3

About (2-benzyl-4-fluorophenyl) carbamate

(2-benzyl-4-fluorophenyl) carbamate (PubChem CID 150789163) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (2-benzyl-4-fluorophenyl) carbamate.

Molecular Properties

Compound Name(2-benzyl-4-fluorophenyl) carbamate
PubChem CID150789163
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(2-benzyl-4-fluorophenyl) carbamate
SMILESNC(=O)Oc1ccc(F)cc1Cc1ccccc1
InChIInChI=1S/C14H12FNO2/c15-12-6-7-13(18-14(16)17)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,17)
InChIKeyKDMCUZLUTLGZKD-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(bromomethyl)-4-fluorophenyl] carbamate
CID 152652489
2-benzyl-4-fluorobenzoic acid
CID 68960960
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
2-(2-benzylphenoxy)-2-oxoacetic acid
CID 141025614
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
2-(2-benzyl-5-fluorophenyl)ethanamine
CID 20642641
[2,4-bis[(4-isocyanatophenyl)methyl]phenyl] carbamate
CID 88738460
N-(2-benzyl-4-fluorophenyl)-2-hydroxyacetamide
CID 67711823
[2-[(4-fluorophenyl)methyl]-4-nitrophenyl] hydrogen carbonate
CID 125470549
[2-benzyl-3-(2-oxobut-3-enyl)phenyl] carbamate
CID 67135701
[2-(aminomethyl)-4-fluorophenyl] acetate
CID 151844429
[3-[(4-fluorophenyl)methyl]-4-methoxyphenyl] benzenecarboperoxoate
CID 143339875

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-fluorophenyl) carbamate?
The IUPAC name of (2-benzyl-4-fluorophenyl) carbamate (CID 150789163) is (2-benzyl-4-fluorophenyl) carbamate.
What is the SMILES notation for (2-benzyl-4-fluorophenyl) carbamate?
The canonical SMILES for (2-benzyl-4-fluorophenyl) carbamate is NC(=O)Oc1ccc(F)cc1Cc1ccccc1.
What is the InChIKey of (2-benzyl-4-fluorophenyl) carbamate?
The InChIKey is KDMCUZLUTLGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-6-7-13(18-14(16)17)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,17).
What are the key properties of (2-benzyl-4-fluorophenyl) carbamate?
(2-benzyl-4-fluorophenyl) carbamate has a molecular weight of 245.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-fluorophenyl) carbamate is sourced from PubChem (CID 150789163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).