(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate

C16H15ClFNO2 — CID 23366848

IUPAC(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(F)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNO2/c17-14-5-1-13(2-6-14)11-21-16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20)
InChIKeyDZKCOQDJIVCPNJ-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.95
Rot. Bonds5

About (4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate

(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate (PubChem CID 23366848) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
PubChem CID23366848
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(F)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNO2/c17-14-5-1-13(2-6-14)11-21-16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20)
InChIKeyDZKCOQDJIVCPNJ-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
(4-fluorophenyl)methyl N-aminocarbamate
CID 131187793
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 51274165
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797320

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate (CID 23366848) is (4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate is O=C(NCCc1ccc(F)cc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate?
The InChIKey is DZKCOQDJIVCPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-14-5-1-13(2-6-14)11-21-16(20)19-10-9-12-3-7-15(18)8-4-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of (4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate?
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate has a molecular weight of 307.75 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 23366848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).