2-(3-chloro-2-methylanilino)-N-pentylacetamide

C14H21ClN2O — CID 109006043

IUPAC2-(3-chloro-2-methylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CNc1cccc(Cl)c1C
InChIInChI=1S/C14H21ClN2O/c1-3-4-5-9-16-14(18)10-17-13-8-6-7-12(15)11(13)2/h6-8,17H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeyLMZFBNLPSZPHJM-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.37
Rot. Bonds7

About 2-(3-chloro-2-methylanilino)-N-pentylacetamide

2-(3-chloro-2-methylanilino)-N-pentylacetamide (PubChem CID 109006043) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-pentylacetamide
PubChem CID109006043
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-(3-chloro-2-methylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CNc1cccc(Cl)c1C
InChIInChI=1S/C14H21ClN2O/c1-3-4-5-9-16-14(18)10-17-13-8-6-7-12(15)11(13)2/h6-8,17H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeyLMZFBNLPSZPHJM-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-2-methylanilino)-N-pentylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dichloroanilino)-N-heptylacetamide
CID 54816059
3-chloro-2-methyl-N-octylaniline
CID 43129192
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54815058
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
butyl 2-(3-chloro-2-methylanilino)acetate
CID 54917755
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
CID 109032256
4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149844
1-(3-chloro-2-methylphenyl)-3-dodecylthiourea
CID 19651379
N-pentyl-2-(2-propan-2-ylanilino)acetamide
CID 109006037
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 109008221

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-pentylacetamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-pentylacetamide (CID 109006043) is 2-(3-chloro-2-methylanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-pentylacetamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-pentylacetamide is CCCCCNC(=O)CNc1cccc(Cl)c1C.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-pentylacetamide?
The InChIKey is LMZFBNLPSZPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-5-9-16-14(18)10-17-13-8-6-7-12(15)11(13)2/h6-8,17H,3-5,9-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-pentylacetamide?
2-(3-chloro-2-methylanilino)-N-pentylacetamide has a molecular weight of 268.79 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-pentylacetamide is sourced from PubChem (CID 109006043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).