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

C13H19ClN2O2 — CID 114285613

IUPAC4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide
SMILESCOc1ccc(Cl)c(NC(=O)C(C)(C)CCN)c1
InChIInChI=1S/C13H19ClN2O2/c1-13(2,6-7-15)12(17)16-11-8-9(18-3)4-5-10(11)14/h4-5,8H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyWKLLTVJNFFDEJL-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.66
Rot. Bonds5

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

4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide (PubChem CID 114285613) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide
PubChem CID114285613
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide
SMILESCOc1ccc(Cl)c(NC(=O)C(C)(C)CCN)c1
InChIInChI=1S/C13H19ClN2O2/c1-13(2,6-7-15)12(17)16-11-8-9(18-3)4-5-10(11)14/h4-5,8H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyWKLLTVJNFFDEJL-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamothioyl-N-(2-chloro-5-methoxyphenyl)-2-methylbutanamide
CID 114292151
2-amino-N-(2-chloro-5-methoxyphenyl)-2-phenylpropanamide
CID 62489467
N-(2-chloro-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733277
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
5-(2-chloro-5-methoxyanilino)pentanamide
CID 114281598
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
(2S)-2-amino-N-(2-chloro-5-methoxyphenyl)pentanamide
CID 107569473
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47423695
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
CID 114326382
2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113270112
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide (CID 114285613) is 4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide is COc1ccc(Cl)c(NC(=O)C(C)(C)CCN)c1.
What is the InChIKey of 4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide?
The InChIKey is WKLLTVJNFFDEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,6-7-15)12(17)16-11-8-9(18-3)4-5-10(11)14/h4-5,8H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide?
4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide has a molecular weight of 270.76 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 114285613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).