N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride

C18H30ClFN2O — CID 119599995

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CC(C)Cc1cccc(F)c1.Cl
InChIInChI=1S/C18H29FN2O.ClH/c1-13(2)11-18(4,12-20)21-17(22)9-14(3)8-15-6-5-7-16(19)10-15;/h5-7,10,13-14H,8-9,11-12,20H2,1-4H3,(H,21,22);1H
InChIKeyUPQKEJXWFRBMHL-UHFFFAOYSA-N
MW344.90 g/mol
LogP3.70
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119599995) has the molecular formula C18H30ClFN2O and a molecular weight of 344.90 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
PubChem CID119599995
Molecular FormulaC18H30ClFN2O
Molecular Weight344.90 g/mol
Exact Mass344.20
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)CC(C)Cc1cccc(F)c1.Cl
InChIInChI=1S/C18H29FN2O.ClH/c1-13(2)11-18(4,12-20)21-17(22)9-14(3)8-15-6-5-7-16(19)10-15;/h5-7,10,13-14H,8-9,11-12,20H2,1-4H3,(H,21,22);1H
InChIKeyUPQKEJXWFRBMHL-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119408534
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 119604718
3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 122080681
N-(1-amino-2,4-dimethylpentan-2-yl)-2-naphthalen-2-ylacetamide;hydrochloride
CID 119597467

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride (CID 119599995) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)CC(C)Cc1cccc(F)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is UPQKEJXWFRBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O.ClH/c1-13(2)11-18(4,12-20)21-17(22)9-14(3)8-15-6-5-7-16(19)10-15;/h5-7,10,13-14H,8-9,11-12,20H2,1-4H3,(H,21,22);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 344.90 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119599995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).