2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide

C16H23ClN2O2 — CID 113172064

IUPAC2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1ccc(Cl)cc1C
InChIInChI=1S/C16H23ClN2O2/c1-4-5-6-9-18-16(21)11-19(13(3)20)15-8-7-14(17)10-12(15)2/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,21)
InChIKeyYWOZFGRPKYRDCL-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.31
Rot. Bonds7

About 2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide

2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide (PubChem CID 113172064) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
PubChem CID113172064
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1ccc(Cl)cc1C
InChIInChI=1S/C16H23ClN2O2/c1-4-5-6-9-18-16(21)11-19(13(3)20)15-8-7-14(17)10-12(15)2/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,21)
InChIKeyYWOZFGRPKYRDCL-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide
CID 113133885
2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide
CID 113181217
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methylphenyl)acetamide
CID 113172073
2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
CID 113181630
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
methyl 3-[acetyl-[2-oxo-2-(pentylamino)ethyl]amino]-4-chlorobenzoate
CID 113176542
2-(N-acetyl-3-chloro-2-methylanilino)-N-butylacetamide
CID 113171663
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113172088
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide?
The IUPAC name of 2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide (CID 113172064) is 2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide?
The canonical SMILES for 2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide is CCCCCNC(=O)CN(C(C)=O)c1ccc(Cl)cc1C.
What is the InChIKey of 2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide?
The InChIKey is YWOZFGRPKYRDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-5-6-9-18-16(21)11-19(13(3)20)15-8-7-14(17)10-12(15)2/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,21).
What are the key properties of 2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide?
2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide has a molecular weight of 310.83 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide is sourced from PubChem (CID 113172064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).