2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide

C18H25ClN2O2 — CID 113172228

IUPAC2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H25ClN2O2/c1-13-9-10-16(11-17(13)19)21(14(2)22)12-18(23)20-15-7-5-3-4-6-8-15/h9-11,15H,3-8,12H2,1-2H3,(H,20,23)
InChIKeyKVHIJYAPAVOCNZ-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.84
Rot. Bonds4

About 2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide

2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide (PubChem CID 113172228) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
PubChem CID113172228
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H25ClN2O2/c1-13-9-10-16(11-17(13)19)21(14(2)22)12-18(23)20-15-7-5-3-4-6-8-15/h9-11,15H,3-8,12H2,1-2H3,(H,20,23)
InChIKeyKVHIJYAPAVOCNZ-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-cyclohexylacetamide
CID 113168245
2-(N-acetyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 113168237
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 113154945
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
2-(N-acetyl-4-ethylanilino)-N-cycloheptylacetamide
CID 113169281
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide
CID 113175380
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 30172800
2-(N-acetyl-3-methoxyanilino)-N-cycloheptylacetamide
CID 113173369
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide (CID 113172228) is 2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide is CC(=O)N(CC(=O)NC1CCCCCC1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide?
The InChIKey is KVHIJYAPAVOCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-9-10-16(11-17(13)19)21(14(2)22)12-18(23)20-15-7-5-3-4-6-8-15/h9-11,15H,3-8,12H2,1-2H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide?
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide has a molecular weight of 336.86 g/mol, XLogP of 3.84, 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-4-methylanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 113172228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).