(2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate

C21H18FNO2 — CID 20872689

IUPAC(2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate
SMILESCCc1ccc(-c2ccc(NC(=O)Oc3ccccc3F)cc2)cc1
InChIInChI=1S/C21H18FNO2/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)23-21(24)25-20-6-4-3-5-19(20)22/h3-14H,2H2,1H3,(H,23,24)
InChIKeyXHWBLLJZJZYEES-UHFFFAOYSA-N
MW335.38 g/mol
LogP5.67
Rot. Bonds4

About (2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate

(2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate (PubChem CID 20872689) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is (2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate.

Molecular Properties

Compound Name(2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate
PubChem CID20872689
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name(2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate
SMILESCCc1ccc(-c2ccc(NC(=O)Oc3ccccc3F)cc2)cc1
InChIInChI=1S/C21H18FNO2/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)23-21(24)25-20-6-4-3-5-19(20)22/h3-14H,2H2,1H3,(H,23,24)
InChIKeyXHWBLLJZJZYEES-UHFFFAOYSA-N
XLogP5.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Carbamic acid, N-(4-cyanophenyl)-, phenyl ester
CID 117019
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CID 2127543
5-Isopropyl-2-methylphenyl N-(4-methoxyphenyl)carbamate
CID 303325
5-Isopropyl-2-methylphenyl carbanilate
CID 585086
4-Ethylphenyl phenylcarbamate
CID 2834241
Cyclohexyl-carbamic acid 4''''-amino-biphenyl-3-yl ester
CID 11335892
2-[3-Fluoro-4-[3-(phenylcarbamoyloxy)phenyl]phenyl]propanoic acid
CID 90036424
Carbanilic acid, p-tolyl ester
CID 27816
4-Cyclohexylphenyl N-phenylcarbamate
CID 306463
Biphenyl-3-ylcarbamic Acid Biphenyl-3-yl Ester
CID 44585895
(4-tert-butylphenyl) N-(5-methyl-2-propan-2-ylphenyl)carbamate
CID 70688997

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate?
The IUPAC name of (2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate (CID 20872689) is (2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate.
What is the SMILES notation for (2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate?
The canonical SMILES for (2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate is CCc1ccc(-c2ccc(NC(=O)Oc3ccccc3F)cc2)cc1.
What is the InChIKey of (2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate?
The InChIKey is XHWBLLJZJZYEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)23-21(24)25-20-6-4-3-5-19(20)22/h3-14H,2H2,1H3,(H,23,24).
What are the key properties of (2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate?
(2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate has a molecular weight of 335.38 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) N-[4-(4-ethylphenyl)phenyl]carbamate is sourced from PubChem (CID 20872689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).