2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide

C13H19ClN2O — CID 115597357

IUPAC2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide
SMILESCC(C)(C)CCNC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)6-7-16-12(17)10-8-9(14)4-5-11(10)15/h4-5,8H,6-7,15H2,1-3H3,(H,16,17)
InChIKeySKXYBXOOSGASAD-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.09
Rot. Bonds3

About 2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide

2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide (PubChem CID 115597357) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide
PubChem CID115597357
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide
SMILESCC(C)(C)CCNC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)6-7-16-12(17)10-8-9(14)4-5-11(10)15/h4-5,8H,6-7,15H2,1-3H3,(H,16,17)
InChIKeySKXYBXOOSGASAD-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65103861
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
CID 114007983
2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide
CID 16778185
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968
2-chloro-N-(3,3-dimethylbutyl)-4-nitrobenzamide
CID 34710035
2-amino-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821646
2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107843370
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide (CID 115597357) is 2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide is CC(C)(C)CCNC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide?
The InChIKey is SKXYBXOOSGASAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,3)6-7-16-12(17)10-8-9(14)4-5-11(10)15/h4-5,8H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide?
2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide has a molecular weight of 254.76 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide is sourced from PubChem (CID 115597357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).