4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide

C13H16ClN3O — CID 114285571

IUPAC4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
SMILESCC(C)(CCN)C(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H16ClN3O/c1-13(2,5-6-15)12(18)17-11-7-10(14)4-3-9(11)8-16/h3-4,7H,5-6,15H2,1-2H3,(H,17,18)
InChIKeyCSUXICZQZRUWEZ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.53
Rot. Bonds4

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

4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide (PubChem CID 114285571) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
PubChem CID114285571
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
SMILESCC(C)(CCN)C(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H16ClN3O/c1-13(2,5-6-15)12(18)17-11-7-10(14)4-3-9(11)8-16/h3-4,7H,5-6,15H2,1-2H3,(H,17,18)
InChIKeyCSUXICZQZRUWEZ-UHFFFAOYSA-N
XLogP2.53
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 64919411
6-amino-N-(5-chloro-2-cyanophenyl)-4,4-dimethylhexanamide
CID 65290889
N-(5-chloro-2-cyanophenyl)-2-methyl-2-phenylpropanamide
CID 60628690
5-(5-chloro-2-cyanoanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 60708253
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
3-(5-chloro-2-cyanoanilino)-3-methylbutanamide
CID 114142911
N-(5-bromo-2-cyanophenyl)-3-chloro-2,2-dimethylpropanamide
CID 107797781
(2S)-2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbutanamide
CID 61156530
1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
CID 115434808
2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide (CID 114285571) is 4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide is CC(C)(CCN)C(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of 4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide?
The InChIKey is CSUXICZQZRUWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-13(2,5-6-15)12(18)17-11-7-10(14)4-3-9(11)8-16/h3-4,7H,5-6,15H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide?
4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide has a molecular weight of 265.74 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 114285571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).