2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide

C18H18Cl2N2O2 — CID 113171767

IUPAC2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cccc(Cl)c1C
InChIInChI=1S/C18H18Cl2N2O2/c1-11-14(19)6-4-8-16(11)21-18(24)10-22(13(3)23)17-9-5-7-15(20)12(17)2/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyOOQMQIFXIRQILR-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.60
Rot. Bonds4

About 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide

2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 113171767) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID113171767
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cccc(Cl)c1C
InChIInChI=1S/C18H18Cl2N2O2/c1-11-14(19)6-4-8-16(11)21-18(24)10-22(13(3)23)17-9-5-7-15(20)12(17)2/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyOOQMQIFXIRQILR-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113167376
2-(N-acetyl-2-fluoroanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113170822
2-(N-acetyl-2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113171195
2-(N-acetyl-2-ethoxyanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113173786
2-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113171816
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113168353
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113171770
2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113177953
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113171824
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113181859
2-(N-acetyl-3-chloro-2-methylanilino)-N-butylacetamide
CID 113171663
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide (CID 113171767) is 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cccc(Cl)c1C.
What is the InChIKey of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is OOQMQIFXIRQILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-11-14(19)6-4-8-16(11)21-18(24)10-22(13(3)23)17-9-5-7-15(20)12(17)2/h4-9H,10H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 365.26 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 113171767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).