2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide

C19H23ClN2O — CID 25180158

IUPAC2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1c(Cl)cccc1N(C)c1ccccc1C
InChIInChI=1S/C19H23ClN2O/c1-5-22(6-2)19(23)18-15(20)11-9-13-17(18)21(4)16-12-8-7-10-14(16)3/h7-13H,5-6H2,1-4H3
InChIKeyMPBJGUMQPBQCSD-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.90
Rot. Bonds5

About 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide

2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide (PubChem CID 25180158) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide
PubChem CID25180158
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1c(Cl)cccc1N(C)c1ccccc1C
InChIInChI=1S/C19H23ClN2O/c1-5-22(6-2)19(23)18-15(20)11-9-13-17(18)21(4)16-12-8-7-10-14(16)3/h7-13H,5-6H2,1-4H3
InChIKeyMPBJGUMQPBQCSD-UHFFFAOYSA-N
XLogP4.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N,2-dimethylanilino)-N,N-diethyl-6-methylbenzamide
CID 25179562
2-chloro-6-(N,2-dimethylanilino)benzenecarboximidamide
CID 62496666
N,N-diethyl-2-(N,2,3-trimethylanilino)benzamide
CID 25179558
2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
CID 71442782
2-N,2-N-diethyl-1-N,3-dimethyl-1-N-(2-phenylphenyl)benzene-1,2-dicarboxamide
CID 67628353
4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide
CID 110855128
N,N-diethyl-2-methyl-6-propanoylbenzamide
CID 15867089
2-chloro-N-(2-chloroethyl)-N-ethyl-6-fluorobenzamide
CID 63394963
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide
CID 166671176
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide?
The IUPAC name of 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide (CID 25180158) is 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide.
What is the SMILES notation for 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide?
The canonical SMILES for 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1c(Cl)cccc1N(C)c1ccccc1C.
What is the InChIKey of 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide?
The InChIKey is MPBJGUMQPBQCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-5-22(6-2)19(23)18-15(20)11-9-13-17(18)21(4)16-12-8-7-10-14(16)3/h7-13H,5-6H2,1-4H3.
What are the key properties of 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide?
2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide has a molecular weight of 330.86 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(N,2-dimethylanilino)-N,N-diethylbenzamide is sourced from PubChem (CID 25180158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).