6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide

C15H20ClN3O — CID 65290889

IUPAC6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H20ClN3O/c1-15(2,7-8-17)6-5-14(20)19-13-9-12(16)4-3-11(13)10-18/h3-4,9H,5-8,17H2,1-2H3,(H,19,20)
InChIKeyINMLFJDPNCBJSH-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.31
Rot. Bonds6

About 6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide

6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide (PubChem CID 65290889) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide
PubChem CID65290889
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H20ClN3O/c1-15(2,7-8-17)6-5-14(20)19-13-9-12(16)4-3-11(13)10-18/h3-4,9H,5-8,17H2,1-2H3,(H,19,20)
InChIKeyINMLFJDPNCBJSH-UHFFFAOYSA-N
XLogP3.31
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(2-cyanophenyl)-4,4-dimethylhexanamide
CID 65292791
4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 114285571
5-(5-chloro-2-cyanoanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 60708253
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682
N-(5-chloro-2-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 54920661
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 64919411
4-[(6-amino-4,4-dimethylhexanoyl)amino]-3-chlorobenzoic acid
CID 65291054
N-(5-chloro-2-cyanophenyl)-3-(ethylamino)butanamide
CID 55123280
2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64616779
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564022

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide (CID 65290889) is 6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of 6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide?
The InChIKey is INMLFJDPNCBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-15(2,7-8-17)6-5-14(20)19-13-9-12(16)4-3-11(13)10-18/h3-4,9H,5-8,17H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide?
6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide has a molecular weight of 293.80 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide is sourced from PubChem (CID 65290889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).