2,3-dichloro-N-ethylbenzamide;methane

C10H13Cl2NO — CID 158305709

IUPAC2,3-dichloro-N-ethylbenzamide;methane
SMILESC.CCNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO.CH4/c1-2-12-9(13)6-4-3-5-7(10)8(6)11;/h3-5H,2H2,1H3,(H,12,13);1H4
InChIKeyGNBBRCPHNIRLSG-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.38
Rot. Bonds2

About 2,3-dichloro-N-ethylbenzamide;methane

2,3-dichloro-N-ethylbenzamide;methane (PubChem CID 158305709) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2,3-dichloro-N-ethylbenzamide;methane.

Molecular Properties

Compound Name2,3-dichloro-N-ethylbenzamide;methane
PubChem CID158305709
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2,3-dichloro-N-ethylbenzamide;methane
SMILESC.CCNC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO.CH4/c1-2-12-9(13)6-4-3-5-7(10)8(6)11;/h3-5H,2H2,1H3,(H,12,13);1H4
InChIKeyGNBBRCPHNIRLSG-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247
2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 4866653
2,3-dichloro-N-(3-iodopropyl)benzamide
CID 114504005
N-(2-bromoprop-2-enyl)-2,3-dichlorobenzamide
CID 47439235
2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 65218826
N-(2-amino-3-hydroxybutyl)-2,3-dichlorobenzamide
CID 64539557
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
2,3-dichloro-N-sulfanylbenzamide
CID 71773851
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-ethylbenzamide;methane?
The IUPAC name of 2,3-dichloro-N-ethylbenzamide;methane (CID 158305709) is 2,3-dichloro-N-ethylbenzamide;methane.
What is the SMILES notation for 2,3-dichloro-N-ethylbenzamide;methane?
The canonical SMILES for 2,3-dichloro-N-ethylbenzamide;methane is C.CCNC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-ethylbenzamide;methane?
The InChIKey is GNBBRCPHNIRLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO.CH4/c1-2-12-9(13)6-4-3-5-7(10)8(6)11;/h3-5H,2H2,1H3,(H,12,13);1H4.
What are the key properties of 2,3-dichloro-N-ethylbenzamide;methane?
2,3-dichloro-N-ethylbenzamide;methane has a molecular weight of 234.13 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-ethylbenzamide;methane is sourced from PubChem (CID 158305709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).