2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide

C12H16Cl2N2O — CID 70963721

IUPAC2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-12(2,3)10(15)11(17)16-7-4-5-8(13)9(14)6-7/h4-6,10H,15H2,1-3H3,(H,16,17)
InChIKeySKPGPNRZPUSFQQ-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.31
Rot. Bonds2

About 2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide

2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide (PubChem CID 70963721) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
PubChem CID70963721
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-12(2,3)10(15)11(17)16-7-4-5-8(13)9(14)6-7/h4-6,10H,15H2,1-3H3,(H,16,17)
InChIKeySKPGPNRZPUSFQQ-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
(2S)-2-amino-N-(3-chloro-4-cyanophenyl)-3,3-dimethylbutanamide
CID 61149342
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
CID 103928886
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119712534
(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 103929010
(2R)-2-amino-3,3-dimethyl-N-(2,4,5-trichlorophenyl)butanamide
CID 103928303
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide (CID 70963721) is 2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide?
The InChIKey is SKPGPNRZPUSFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-12(2,3)10(15)11(17)16-7-4-5-8(13)9(14)6-7/h4-6,10H,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide?
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide has a molecular weight of 275.18 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 70963721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).