N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide

C13H19ClN2O — CID 107465588

IUPACN-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O/c1-9(2)4-7-13(17)16(3)12-8-10(14)5-6-11(12)15/h5-6,8-9H,4,7,15H2,1-3H3
InChIKeyNFZIRZITFQJBPP-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.32
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide

N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide (PubChem CID 107465588) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
PubChem CID107465588
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O/c1-9(2)4-7-13(17)16(3)12-8-10(14)5-6-11(12)15/h5-6,8-9H,4,7,15H2,1-3H3
InChIKeyNFZIRZITFQJBPP-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide
CID 115156651
N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide
CID 107465550
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide
CID 107465805
N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 107465671
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate
CID 107466129
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide
CID 115155218
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide (CID 107465588) is N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide?
The InChIKey is NFZIRZITFQJBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)4-7-13(17)16(3)12-8-10(14)5-6-11(12)15/h5-6,8-9H,4,7,15H2,1-3H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide?
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide has a molecular weight of 254.76 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 107465588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).