3-(5-chloro-2-methylanilino)-N-pentylpropanamide

C15H23ClN2O — CID 109032149

IUPAC3-(5-chloro-2-methylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNc1cc(Cl)ccc1C
InChIInChI=1S/C15H23ClN2O/c1-3-4-5-9-18-15(19)8-10-17-14-11-13(16)7-6-12(14)2/h6-7,11,17H,3-5,8-10H2,1-2H3,(H,18,19)
InChIKeyINXIWEZIEKWMSS-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.76
Rot. Bonds8

About 3-(5-chloro-2-methylanilino)-N-pentylpropanamide

3-(5-chloro-2-methylanilino)-N-pentylpropanamide (PubChem CID 109032149) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-N-pentylpropanamide
PubChem CID109032149
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-(5-chloro-2-methylanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCNc1cc(Cl)ccc1C
InChIInChI=1S/C15H23ClN2O/c1-3-4-5-9-18-15(19)8-10-17-14-11-13(16)7-6-12(14)2/h6-7,11,17H,3-5,8-10H2,1-2H3,(H,18,19)
InChIKeyINXIWEZIEKWMSS-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
CID 112997994
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
N-pentyl-3-(2,4,6-trimethylanilino)propanamide
CID 109032138
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
3-(3,5-dimethylanilino)-N-pentylpropanamide
CID 109032129
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54819419
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016265

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-N-pentylpropanamide?
The IUPAC name of 3-(5-chloro-2-methylanilino)-N-pentylpropanamide (CID 109032149) is 3-(5-chloro-2-methylanilino)-N-pentylpropanamide.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-N-pentylpropanamide?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-N-pentylpropanamide is CCCCCNC(=O)CCNc1cc(Cl)ccc1C.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-N-pentylpropanamide?
The InChIKey is INXIWEZIEKWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-4-5-9-18-15(19)8-10-17-14-11-13(16)7-6-12(14)2/h6-7,11,17H,3-5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-(5-chloro-2-methylanilino)-N-pentylpropanamide?
3-(5-chloro-2-methylanilino)-N-pentylpropanamide has a molecular weight of 282.81 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-N-pentylpropanamide is sourced from PubChem (CID 109032149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).