N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C14H21ClF2N2O — CID 119809191

IUPACN-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)(C)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-9(8-17-4)13(19)18-14(2,3)10-5-6-11(15)12(16)7-10;/h5-7,9,17H,8H2,1-4H3,(H,18,19);1H
InChIKeyCNPWNSWAKHERQR-UHFFFAOYSA-N
MW306.78 g/mol
LogP2.59
Rot. Bonds5

About N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119809191) has the molecular formula C14H21ClF2N2O and a molecular weight of 306.78 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119809191
Molecular FormulaC14H21ClF2N2O
Molecular Weight306.78 g/mol
Exact Mass306.13
IUPAC NameN-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)(C)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C14H20F2N2O.ClH/c1-9(8-17-4)13(19)18-14(2,3)10-5-6-11(15)12(16)7-10;/h5-7,9,17H,8H2,1-4H3,(H,18,19);1H
InChIKeyCNPWNSWAKHERQR-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide
CID 119338113
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
CID 115141139
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 80604321
2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide
CID 119809188
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 105058116
2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 119771425
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195587
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119760041

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119809191) is N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(C)(C)c1ccc(F)c(F)c1.Cl.
What is the InChIKey of N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is CNPWNSWAKHERQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O.ClH/c1-9(8-17-4)13(19)18-14(2,3)10-5-6-11(15)12(16)7-10;/h5-7,9,17H,8H2,1-4H3,(H,18,19);1H.
What are the key properties of N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 306.78 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119809191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).