6-amino-N-(3-chloro-2-methylphenyl)hexanamide

C13H19ClN2O — CID 24711595

IUPAC6-amino-N-(3-chloro-2-methylphenyl)hexanamide
SMILESCc1c(Cl)cccc1NC(=O)CCCCCN
InChIInChI=1S/C13H19ClN2O/c1-10-11(14)6-5-7-12(10)16-13(17)8-3-2-4-9-15/h5-7H,2-4,8-9,15H2,1H3,(H,16,17)
InChIKeyLHTCTNKWPBMDIT-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.11
Rot. Bonds6

About 6-amino-N-(3-chloro-2-methylphenyl)hexanamide

6-amino-N-(3-chloro-2-methylphenyl)hexanamide (PubChem CID 24711595) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-amino-N-(3-chloro-2-methylphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(3-chloro-2-methylphenyl)hexanamide
PubChem CID24711595
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name6-amino-N-(3-chloro-2-methylphenyl)hexanamide
SMILESCc1c(Cl)cccc1NC(=O)CCCCCN
InChIInChI=1S/C13H19ClN2O/c1-10-11(14)6-5-7-12(10)16-13(17)8-3-2-4-9-15/h5-7H,2-4,8-9,15H2,1H3,(H,16,17)
InChIKeyLHTCTNKWPBMDIT-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.11
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,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
CID 119762063
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
2-(6-aminohexanoylamino)-6-chlorobenzoic acid
CID 63724633
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-chloro-2-methylphenyl)hexanamide?
The IUPAC name of 6-amino-N-(3-chloro-2-methylphenyl)hexanamide (CID 24711595) is 6-amino-N-(3-chloro-2-methylphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(3-chloro-2-methylphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(3-chloro-2-methylphenyl)hexanamide is Cc1c(Cl)cccc1NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-(3-chloro-2-methylphenyl)hexanamide?
The InChIKey is LHTCTNKWPBMDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-11(14)6-5-7-12(10)16-13(17)8-3-2-4-9-15/h5-7H,2-4,8-9,15H2,1H3,(H,16,17).
What are the key properties of 6-amino-N-(3-chloro-2-methylphenyl)hexanamide?
6-amino-N-(3-chloro-2-methylphenyl)hexanamide has a molecular weight of 254.76 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-chloro-2-methylphenyl)hexanamide is sourced from PubChem (CID 24711595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).