2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide

C14H20ClFN2O — CID 119745685

IUPAC2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H20ClFN2O/c1-4-7-14(3,17)13(19)18-9(2)10-5-6-12(16)11(15)8-10/h5-6,8-9H,4,7,17H2,1-3H3,(H,18,19)
InChIKeyVKURPDRQXIMUBN-UHFFFAOYSA-N
MW286.78 g/mol
LogP3.17
Rot. Bonds5

About 2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide

2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide (PubChem CID 119745685) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
PubChem CID119745685
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H20ClFN2O/c1-4-7-14(3,17)13(19)18-9(2)10-5-6-12(16)11(15)8-10/h5-6,8-9H,4,7,17H2,1-3H3,(H,18,19)
InChIKeyVKURPDRQXIMUBN-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
CID 60847704
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119716790
2-amino-N-[1-(2-chloro-6-fluorophenyl)ethyl]-2-methylpentanamide
CID 119818781
2-amino-N-[1-(3,5-dimethylphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119778527
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 60847702
2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-methylpentanamide
CID 60847374
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
CID 54928444
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pentanamide;hydrochloride
CID 119771247
2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride
CID 119822525

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide (CID 119745685) is 2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NC(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide?
The InChIKey is VKURPDRQXIMUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-4-7-14(3,17)13(19)18-9(2)10-5-6-12(16)11(15)8-10/h5-6,8-9H,4,7,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide?
2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide has a molecular weight of 286.78 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 119745685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).