N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C12H12ClNO3 — CID 18170180

IUPACN-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1=COCCO1
InChIInChI=1S/C12H12ClNO3/c1-8-9(13)3-2-4-10(8)14-12(15)11-7-16-5-6-17-11/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyQQAZMJMCEVPQTJ-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.48
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18170180) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18170180
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC NameN-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1=COCCO1
InChIInChI=1S/C12H12ClNO3/c1-8-9(13)3-2-4-10(8)14-12(15)11-7-16-5-6-17-11/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyQQAZMJMCEVPQTJ-UHFFFAOYSA-N
XLogP2.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-3-hydroxyquinolin-2(1H)-one
CID 44157408
7-Chloro-3-hydroxyquinolin-2(1H)-one
CID 44176138
N-(5-chloro-2-methylphenyl)-2-methoxyacetamide
CID 795634
2(1H)-Quinolinone, 3-methoxy-
CID 820270
N-(5-chloro-2-methylphenyl)-2-ethoxyacetamide
CID 1731788
N-(2-tert-butylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17477332
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18082593
Ethyl [(5-chloro-2-methylphenyl)amino](oxo)acetate
CID 2268211
N-(3-chloro-4-methylphenyl)-2-methoxyacetamide
CID 836498
N-(3-chloro-4-methylphenyl)-2-ethoxyacetamide
CID 1731787
(Z)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methoxyprop-2-enamide
CID 56968200
(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 1086800

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18170180) is N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is Cc1c(Cl)cccc1NC(=O)C1=COCCO1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is QQAZMJMCEVPQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-8-9(13)3-2-4-10(8)14-12(15)11-7-16-5-6-17-11/h2-4,7H,5-6H2,1H3,(H,14,15).
What are the key properties of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 253.68 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18170180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).