4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide

C17H16Cl2N2O2 — CID 46744939

IUPAC4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-10-3-6-14(19)9-15(10)21-16(22)11(2)20-17(23)12-4-7-13(18)8-5-12/h3-9,11H,1-2H3,(H,20,23)(H,21,22)
InChIKeyVBBKARKOTCNMNH-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.06
Rot. Bonds4

About 4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide

4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 46744939) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
PubChem CID46744939
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)C(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-10-3-6-14(19)9-15(10)21-16(22)11(2)20-17(23)12-4-7-13(18)8-5-12/h3-9,11H,1-2H3,(H,20,23)(H,21,22)
InChIKeyVBBKARKOTCNMNH-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939063
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840290
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
CID 7679282
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
CID 9431031
4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 119440668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide (CID 46744939) is 4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide is Cc1ccc(Cl)cc1NC(=O)C(C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is VBBKARKOTCNMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-10-3-6-14(19)9-15(10)21-16(22)11(2)20-17(23)12-4-7-13(18)8-5-12/h3-9,11H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 46744939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).