N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide

C15H23ClN2O — CID 107465550

IUPACN-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide
SMILESCC(CC(=O)N(C)c1cc(Cl)ccc1N)C(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-10(15(2,3)4)8-14(19)18(5)13-9-11(16)6-7-12(13)17/h6-7,9-10H,8,17H2,1-5H3
InChIKeyZBIWFHFCUHPBTD-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.96
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide

N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide (PubChem CID 107465550) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide
PubChem CID107465550
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide
SMILESCC(CC(=O)N(C)c1cc(Cl)ccc1N)C(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-10(15(2,3)4)8-14(19)18(5)13-9-11(16)6-7-12(13)17/h6-7,9-10H,8,17H2,1-5H3
InChIKeyZBIWFHFCUHPBTD-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.96
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

N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
5-amino-2-[methyl(3,4,4-trimethylpentanoyl)amino]benzoic acid
CID 63833561
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide
CID 107465805
N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 107465671
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 107465978
ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate
CID 107466129
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide (CID 107465550) is N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide is CC(CC(=O)N(C)c1cc(Cl)ccc1N)C(C)(C)C.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide?
The InChIKey is ZBIWFHFCUHPBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(15(2,3)4)8-14(19)18(5)13-9-11(16)6-7-12(13)17/h6-7,9-10H,8,17H2,1-5H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide?
N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide has a molecular weight of 282.81 g/mol, XLogP of 3.96, 3 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,3,4,4-tetramethylpentanamide is sourced from PubChem (CID 107465550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).