5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide

C12H16ClFN2O — CID 107365873

IUPAC5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c1-8(3-2-4-15)12(17)16-11-6-9(13)5-10(14)7-11/h5-8H,2-4,15H2,1H3,(H,16,17)
InChIKeyXWRKRXWOAYYXFZ-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.79
Rot. Bonds5

About 5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide

5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide (PubChem CID 107365873) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide
PubChem CID107365873
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c1-8(3-2-4-15)12(17)16-11-6-9(13)5-10(14)7-11/h5-8H,2-4,15H2,1H3,(H,16,17)
InChIKeyXWRKRXWOAYYXFZ-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(3-cyano-4-fluorophenyl)-2-methylpentanamide
CID 113440983
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide
CID 104684164
4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzoic acid
CID 112547679
5-[(3-chloro-5-fluorophenyl)carbamoylamino]hexanoic acid
CID 107368743
5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 104683445
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
5-[(4-amino-2-methylbutanoyl)amino]-2-fluorobenzoic acid
CID 80542603

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide (CID 107365873) is 5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide is CC(CCCN)C(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide?
The InChIKey is XWRKRXWOAYYXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8(3-2-4-15)12(17)16-11-6-9(13)5-10(14)7-11/h5-8H,2-4,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide?
5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide has a molecular weight of 258.72 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-5-fluorophenyl)-2-methylpentanamide is sourced from PubChem (CID 107365873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).