[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate

C16H14ClFN2O3 — CID 118707131

IUPAC[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-20(2)16(22)23-14-8-3-10(17)9-13(14)15(21)19-12-6-4-11(18)5-7-12/h3-9H,1-2H3,(H,19,21)
InChIKeyULQPSHYQULWFSL-UHFFFAOYSA-N
MW336.75 g/mol
LogP3.79
Rot. Bonds3

About [4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate

[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate (PubChem CID 118707131) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is [4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate
PubChem CID118707131
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-20(2)16(22)23-14-8-3-10(17)9-13(14)15(21)19-12-6-4-11(18)5-7-12/h3-9H,1-2H3,(H,19,21)
InChIKeyULQPSHYQULWFSL-UHFFFAOYSA-N
XLogP3.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
methyl N-[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl]-N-propan-2-ylcarbamate
CID 134109333
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
CID 127028067
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
[2-[(4-chlorophenyl)carbamoyl]-4-(2,4-difluorophenyl)phenyl] 4-chlorobenzoate
CID 66547484
2-[4-chloro-2-[(3,5-difluorophenyl)carbamoyl]phenoxy]-3-methoxyprop-2-enoic acid
CID 70193651
5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
CID 61073474
[4-bromo-2-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate
CID 2804735
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate (CID 118707131) is [4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is ULQPSHYQULWFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-20(2)16(22)23-14-8-3-10(17)9-13(14)15(21)19-12-6-4-11(18)5-7-12/h3-9H,1-2H3,(H,19,21).
What are the key properties of [4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate?
[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 336.75 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 118707131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).