3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride

C15H23ClF2N2O — CID 119816056

IUPAC3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NC(c1ccc(F)cc1F)C(C)(C)C.Cl
InChIInChI=1S/C15H22F2N2O.ClH/c1-9(18)7-13(20)19-14(15(2,3)4)11-6-5-10(16)8-12(11)17;/h5-6,8-9,14H,7,18H2,1-4H3,(H,19,20);1H
InChIKeyNAIBPBHZWMEJKB-UHFFFAOYSA-N
MW320.81 g/mol
LogP3.33
Rot. Bonds4

About 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride

3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride (PubChem CID 119816056) has the molecular formula C15H23ClF2N2O and a molecular weight of 320.81 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride
PubChem CID119816056
Molecular FormulaC15H23ClF2N2O
Molecular Weight320.81 g/mol
Exact Mass320.15
IUPAC Name3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NC(c1ccc(F)cc1F)C(C)(C)C.Cl
InChIInChI=1S/C15H22F2N2O.ClH/c1-9(18)7-13(20)19-14(15(2,3)4)11-6-5-10(16)8-12(11)17;/h5-6,8-9,14H,7,18H2,1-4H3,(H,19,20);1H
InChIKeyNAIBPBHZWMEJKB-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(methylsulfamoyl)acetamide
CID 97070029
3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
CID 119780239
N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]-2-(2-methoxyethylamino)acetamide
CID 119816063
4-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120563884
3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
CID 60836669
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide
CID 119816053
3-amino-N-[1-(2,4-difluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119342170
methyl (3S)-3-amino-3-(2,4-difluorophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171239168
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
2-[3-(2,4-difluorophenyl)butanoylamino]propanoic acid
CID 120523631
1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43491007

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride (CID 119816056) is 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride is CC(N)CC(=O)NC(c1ccc(F)cc1F)C(C)(C)C.Cl.
What is the InChIKey of 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride?
The InChIKey is NAIBPBHZWMEJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O.ClH/c1-9(18)7-13(20)19-14(15(2,3)4)11-6-5-10(16)8-12(11)17;/h5-6,8-9,14H,7,18H2,1-4H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride?
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride has a molecular weight of 320.81 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]butanamide;hydrochloride is sourced from PubChem (CID 119816056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).