4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C18H19ClN2O2 — CID 8503588

IUPAC4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H19ClN2O2/c1-12-5-4-6-16(13(12)2)20-17(22)11-21(3)18(23)14-7-9-15(19)10-8-14/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyVULKOJWZQAQKQD-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.67
Rot. Bonds4

About 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 8503588) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID8503588
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H19ClN2O2/c1-12-5-4-6-16(13(12)2)20-17(22)11-21(3)18(23)14-7-9-15(19)10-8-14/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyVULKOJWZQAQKQD-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 26656595
3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9161434
4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503563
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 37352003
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112834284

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 8503588) is 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)c1C.
What is the InChIKey of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is VULKOJWZQAQKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-5-4-6-16(13(12)2)20-17(22)11-21(3)18(23)14-7-9-15(19)10-8-14/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 8503588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).