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

C17H28ClFN2O — CID 119585743

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)CCc1cccc(F)c1.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-12(2)9-16(11-19)20-17(21)13(3)7-8-14-5-4-6-15(18)10-14;/h4-6,10,12-13,16H,7-9,11,19H2,1-3H3,(H,20,21);1H
InChIKeyFDWCVFBCBSDLTE-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.31
Rot. Bonds8

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

N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride (PubChem CID 119585743) has the molecular formula C17H28ClFN2O and a molecular weight of 330.88 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
PubChem CID119585743
Molecular FormulaC17H28ClFN2O
Molecular Weight330.88 g/mol
Exact Mass330.19
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)CCc1cccc(F)c1.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-12(2)9-16(11-19)20-17(21)13(3)7-8-14-5-4-6-15(18)10-14;/h4-6,10,12-13,16H,7-9,11,19H2,1-3H3,(H,20,21);1H
InChIKeyFDWCVFBCBSDLTE-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
(2S)-2-[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 119366770
(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide
CID 124848839
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
(3S,5R)-3-(aminomethyl)-7-(3-fluorophenyl)-5-methylheptanoic acid
CID 53241288
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119605825
N-(5-amino-2-methylphenyl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 120568045
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119588247
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119586721
2-[[(2S)-4-(3-fluorophenyl)butan-2-yl]amino]-2-oxoacetic acid
CID 99784116
(2R)-2-[[(2R)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887788

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride (CID 119585743) is N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride is CC(C)CC(CN)NC(=O)C(C)CCc1cccc(F)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride?
The InChIKey is FDWCVFBCBSDLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O.ClH/c1-12(2)9-16(11-19)20-17(21)13(3)7-8-14-5-4-6-15(18)10-14;/h4-6,10,12-13,16H,7-9,11,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 119585743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).