(2-fluorophenyl)-(2-phenylethyl)carbamic acid

C15H14FNO2 — CID 154111603

IUPAC(2-fluorophenyl)-(2-phenylethyl)carbamic acid
SMILESO=C(O)N(CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H14FNO2/c16-13-8-4-5-9-14(13)17(15(18)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)
InChIKeyCNRYLCJODAIULK-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.55
Rot. Bonds4

About (2-fluorophenyl)-(2-phenylethyl)carbamic acid

(2-fluorophenyl)-(2-phenylethyl)carbamic acid (PubChem CID 154111603) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (2-fluorophenyl)-(2-phenylethyl)carbamic acid.

Molecular Properties

Compound Name(2-fluorophenyl)-(2-phenylethyl)carbamic acid
PubChem CID154111603
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(2-fluorophenyl)-(2-phenylethyl)carbamic acid
SMILESO=C(O)N(CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H14FNO2/c16-13-8-4-5-9-14(13)17(15(18)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)
InChIKeyCNRYLCJODAIULK-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
hydroxy(2-phenylethyl)carbamic acid
CID 87254387
2-(N-acetyl-2-fluoroanilino)acetic acid
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3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
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3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
N-benzyl-N-(2-fluorophenyl)ethanimidamide
CID 155027785
3-[2-fluoro-N-(pyridine-4-carbonyl)anilino]propanoic acid
CID 82321705
(2-fluorophenyl)methyl-phenylcarbamic acid
CID 68974867
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(2-phenylethyl)carbamic acid?
The IUPAC name of (2-fluorophenyl)-(2-phenylethyl)carbamic acid (CID 154111603) is (2-fluorophenyl)-(2-phenylethyl)carbamic acid.
What is the SMILES notation for (2-fluorophenyl)-(2-phenylethyl)carbamic acid?
The canonical SMILES for (2-fluorophenyl)-(2-phenylethyl)carbamic acid is O=C(O)N(CCc1ccccc1)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(2-phenylethyl)carbamic acid?
The InChIKey is CNRYLCJODAIULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-8-4-5-9-14(13)17(15(18)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19).
What are the key properties of (2-fluorophenyl)-(2-phenylethyl)carbamic acid?
(2-fluorophenyl)-(2-phenylethyl)carbamic acid has a molecular weight of 259.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(2-phenylethyl)carbamic acid is sourced from PubChem (CID 154111603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).