N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride

C14H21ClFN3O2 — CID 119702845

IUPACN-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(F)c(NC(C)=O)c1.Cl
InChIInChI=1S/C14H20FN3O2.ClH/c1-4-8(2)13(16)14(20)18-10-5-6-11(15)12(7-10)17-9(3)19;/h5-8,13H,4,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyZYHPNWAZUQJTGC-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.52
Rot. Bonds5

About N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride

N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride (PubChem CID 119702845) has the molecular formula C14H21ClFN3O2 and a molecular weight of 317.79 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
PubChem CID119702845
Molecular FormulaC14H21ClFN3O2
Molecular Weight317.79 g/mol
Exact Mass317.13
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(F)c(NC(C)=O)c1.Cl
InChIInChI=1S/C14H20FN3O2.ClH/c1-4-8(2)13(16)14(20)18-10-5-6-11(15)12(7-10)17-9(3)19;/h5-8,13H,4,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyZYHPNWAZUQJTGC-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
methyl 3-[(2-amino-3-methylpentanoyl)amino]-4-fluorobenzoate
CID 43703145
2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
CID 119673993
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpentanamide
CID 43708238
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride (CID 119702845) is N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(F)c(NC(C)=O)c1.Cl.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride?
The InChIKey is ZYHPNWAZUQJTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2.ClH/c1-4-8(2)13(16)14(20)18-10-5-6-11(15)12(7-10)17-9(3)19;/h5-8,13H,4,16H2,1-3H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride?
N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride has a molecular weight of 317.79 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119702845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).