2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide

C13H19ClN2O — CID 76892391

IUPAC2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1c(Cl)cccc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C13H19ClN2O/c1-8-9(14)6-5-7-10(8)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)
InChIKeyLUSXIRMBCJEGPC-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.96
Rot. Bonds2

About 2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide

2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 76892391) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
PubChem CID76892391
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1c(Cl)cccc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C13H19ClN2O/c1-8-9(14)6-5-7-10(8)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17)
InChIKeyLUSXIRMBCJEGPC-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylbenzoic acid
CID 61153924
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
N-(3-chloro-2-methylphenyl)-3-methyl-2-sulfanylbutanamide
CID 107020086
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 103929017
(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide
CID 103928303
2-amino-N-(3-chloro-2-methylphenyl)-2-thiophen-2-ylacetamide
CID 115285851
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide (CID 76892391) is 2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide is Cc1c(Cl)cccc1NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is LUSXIRMBCJEGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8-9(14)6-5-7-10(8)16-12(17)11(15)13(2,3)4/h5-7,11H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide?
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 254.76 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76892391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).