(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate

C15H13ClFNO3 — CID 4643203

IUPAC(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate
SMILESCOc1ccc(Cl)cc1NC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO3/c1-20-14-7-4-11(16)8-13(14)18-15(19)21-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyMMJFXCODQJNOPL-UHFFFAOYSA-N
MW309.72 g/mol
LogP4.24
Rot. Bonds4

About (4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate

(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate (PubChem CID 4643203) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate
PubChem CID4643203
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate
SMILESCOc1ccc(Cl)cc1NC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO3/c1-20-14-7-4-11(16)8-13(14)18-15(19)21-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyMMJFXCODQJNOPL-UHFFFAOYSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324
benzyl N-[(2S)-1-(5-chloro-2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 126005930
N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189781
benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
CID 142143785
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201468
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823508
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156639
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate?
The IUPAC name of (4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate (CID 4643203) is (4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate is COc1ccc(Cl)cc1NC(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate?
The InChIKey is MMJFXCODQJNOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-14-7-4-11(16)8-13(14)18-15(19)21-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of (4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate?
(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate has a molecular weight of 309.72 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate is sourced from PubChem (CID 4643203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).