N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide

C14H21FN2O — CID 114152519

IUPACN-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide
SMILESCCC(C)(CCN)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-3-14(2,8-9-16)17-13(18)10-11-4-6-12(15)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyKBZBBOQULSEULV-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.00
Rot. Bonds6

About N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide

N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 114152519) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide
PubChem CID114152519
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide
SMILESCCC(C)(CCN)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-3-14(2,8-9-16)17-13(18)10-11-4-6-12(15)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyKBZBBOQULSEULV-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114152459
N-(1-chloro-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153136
N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153294
N-[3-(chloromethyl)pentan-3-yl]-2-(4-fluorophenyl)acetamide
CID 114304696
7-amino-1-(4-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574767
N-(1-amino-3-methylpentan-3-yl)-2,6-difluoro-3-methylbenzamide
CID 106164208
N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 114303730
2-(4-acetamidophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103946030
N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide
CID 114153124
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945789
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide (CID 114152519) is N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide is CCC(C)(CCN)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is KBZBBOQULSEULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-14(2,8-9-16)17-13(18)10-11-4-6-12(15)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide?
N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 252.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 114152519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).