(3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane

C14H21ClFNO2 — CID 156722778

IUPAC(3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane
SMILESCC.CCN(CC)C(=O)Oc1ccc(F)c(Cl)c1C
InChIInChI=1S/C12H15ClFNO2.C2H6/c1-4-15(5-2)12(16)17-10-7-6-9(14)11(13)8(10)3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyHOPLKYMBTRLZAH-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.65
Rot. Bonds3

About (3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane

(3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane (PubChem CID 156722778) has the molecular formula C14H21ClFNO2 and a molecular weight of 289.78 g/mol. Its IUPAC name is (3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane.

Molecular Properties

Compound Name(3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane
PubChem CID156722778
Molecular FormulaC14H21ClFNO2
Molecular Weight289.78 g/mol
Exact Mass289.12
IUPAC Name(3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane
SMILESCC.CCN(CC)C(=O)Oc1ccc(F)c(Cl)c1C
InChIInChI=1S/C12H15ClFNO2.C2H6/c1-4-15(5-2)12(16)17-10-7-6-9(14)11(13)8(10)3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyHOPLKYMBTRLZAH-UHFFFAOYSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
CID 57052459
[4-bromo-2-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate
CID 2804735
(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate
CID 10945491
(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate
CID 135067853
N-(3-chloro-4-fluoro-2-methylphenyl)propanamide
CID 159195412
[4-[(E)-2-[(4-chlorophenyl)methylsulfanyl]ethenyl]-2-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
CID 167073959
ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate
CID 122517620
2-bromo-1-(3-chloro-4-fluoro-2-methylphenyl)ethanone
CID 130839411
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
(2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate
CID 174604638
[1-[(2,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)indol-5-yl] N,N-diethylcarbamate
CID 46101275
2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide
CID 162421154

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane?
The IUPAC name of (3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane (CID 156722778) is (3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane.
What is the SMILES notation for (3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane?
The canonical SMILES for (3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane is CC.CCN(CC)C(=O)Oc1ccc(F)c(Cl)c1C.
What is the InChIKey of (3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane?
The InChIKey is HOPLKYMBTRLZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2.C2H6/c1-4-15(5-2)12(16)17-10-7-6-9(14)11(13)8(10)3;1-2/h6-7H,4-5H2,1-3H3;1-2H3.
What are the key properties of (3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane?
(3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane has a molecular weight of 289.78 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane is sourced from PubChem (CID 156722778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).