(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride

C15H23Cl3N2O — CID 119757977

IUPAC(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C15H22Cl2N2O.ClH/c1-9(19-14(20)13(18)15(2,3)4)7-10-5-6-11(16)8-12(10)17;/h5-6,8-9,13H,7,18H2,1-4H3,(H,19,20);1H/t9?,13-;/m1./s1
InChIKeyDHFGYPNFBFJSES-SXMPBOCKSA-N
MW353.72 g/mol
LogP3.84
Rot. Bonds4

About (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119757977) has the molecular formula C15H23Cl3N2O and a molecular weight of 353.72 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119757977
Molecular FormulaC15H23Cl3N2O
Molecular Weight353.72 g/mol
Exact Mass352.09
IUPAC Name(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](N)C(C)(C)C.Cl
InChIInChI=1S/C15H22Cl2N2O.ClH/c1-9(19-14(20)13(18)15(2,3)4)7-10-5-6-11(16)8-12(10)17;/h5-6,8-9,13H,7,18H2,1-4H3,(H,19,20);1H/t9?,13-;/m1./s1
InChIKeyDHFGYPNFBFJSES-SXMPBOCKSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.72
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 119308693
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
N-(2-amino-2-methylpropyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119630154
3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
CID 95286380
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
(2S)-2-amino-N-[(4-chloro-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119779172
1-(2,4-dichlorophenyl)-4,5,5-trimethylhexan-2-one
CID 114967176
2-amino-N-[1-(4-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76896717
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride (CID 119757977) is (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride is CC(Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](N)C(C)(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is DHFGYPNFBFJSES-SXMPBOCKSA-N. The full InChI is InChI=1S/C15H22Cl2N2O.ClH/c1-9(19-14(20)13(18)15(2,3)4)7-10-5-6-11(16)8-12(10)17;/h5-6,8-9,13H,7,18H2,1-4H3,(H,19,20);1H/t9?,13-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 353.72 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119757977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).