(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate

C13H16ClNO3 — CID 10945491

IUPAC(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(Cl)c1C(C)=O
InChIInChI=1S/C13H16ClNO3/c1-4-15(5-2)13(17)18-11-8-6-7-10(14)12(11)9(3)16/h6-8H,4-5H2,1-3H3
InChIKeyDHBYKJMOMBJZJP-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.38
Rot. Bonds4

About (2-acetyl-3-chlorophenyl) N,N-diethylcarbamate

(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate (PubChem CID 10945491) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (2-acetyl-3-chlorophenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate
PubChem CID10945491
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(Cl)c1C(C)=O
InChIInChI=1S/C13H16ClNO3/c1-4-15(5-2)13(17)18-11-8-6-7-10(14)12(11)9(3)16/h6-8H,4-5H2,1-3H3
InChIKeyDHBYKJMOMBJZJP-UHFFFAOYSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
(2,3-dihydroxyphenyl) N,N-diethylcarbamate
CID 131845695
1-(2-chloro-6-cyclopropyloxyphenyl)ethanone
CID 144572447
2-[2-[amino(ethyl)carbamoyl]-3-chlorophenoxy]-2-oxoacetic acid
CID 22466164
2-acetyl-N,N-diethyl-3-methoxybenzamide
CID 19802545
(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
CID 57052459
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
(1-acetylindol-3-yl) N,N-diethylcarbamate
CID 101433399
9H-carbazol-4-yl N,N-diethylcarbamate
CID 165357789
[4-[(2,6-dichlorobenzoyl)amino]-1-[(4-methylphenyl)methyl]indol-5-yl] N,N-diethylcarbamate
CID 46086034
(3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane
CID 156722778
2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
CID 71442782

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-3-chlorophenyl) N,N-diethylcarbamate?
The IUPAC name of (2-acetyl-3-chlorophenyl) N,N-diethylcarbamate (CID 10945491) is (2-acetyl-3-chlorophenyl) N,N-diethylcarbamate.
What is the SMILES notation for (2-acetyl-3-chlorophenyl) N,N-diethylcarbamate?
The canonical SMILES for (2-acetyl-3-chlorophenyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cccc(Cl)c1C(C)=O.
What is the InChIKey of (2-acetyl-3-chlorophenyl) N,N-diethylcarbamate?
The InChIKey is DHBYKJMOMBJZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-4-15(5-2)13(17)18-11-8-6-7-10(14)12(11)9(3)16/h6-8H,4-5H2,1-3H3.
What are the key properties of (2-acetyl-3-chlorophenyl) N,N-diethylcarbamate?
(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate has a molecular weight of 269.73 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-3-chlorophenyl) N,N-diethylcarbamate is sourced from PubChem (CID 10945491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).