4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide

C17H17ClN2O2 — CID 2679820

IUPAC4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11-4-3-5-12(2)16(11)20-15(21)10-19-17(22)13-6-8-14(18)9-7-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBBCNUHTYIAYEDY-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide

4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide (PubChem CID 2679820) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
PubChem CID2679820
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11-4-3-5-12(2)16(11)20-15(21)10-19-17(22)13-6-8-14(18)9-7-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBBCNUHTYIAYEDY-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 27760143
4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide
CID 56545372
4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 24634664
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide
CID 55757965
2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 31132082
2-(2,4-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 7676714
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 26904071
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46745022

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide (CID 2679820) is 4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide?
The InChIKey is BBCNUHTYIAYEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-4-3-5-12(2)16(11)20-15(21)10-19-17(22)13-6-8-14(18)9-7-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide?
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 2679820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).