N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide

C13H18F2N2O — CID 55242929

IUPACN-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
SMILESCC(C)CC(CN)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O/c1-8(2)3-12(7-16)17-13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18)
InChIKeyKPDSYCMRZLKGFM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.07
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide

N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide (PubChem CID 55242929) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
PubChem CID55242929
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
SMILESCC(C)CC(CN)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O/c1-8(2)3-12(7-16)17-13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18)
InChIKeyKPDSYCMRZLKGFM-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide
CID 63754722
N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
CID 65191559
N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-fluorobenzamide
CID 103807055
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119586236
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
CID 97350116
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
CID 55243707
N-(1-amino-4-methylpentan-2-yl)thiophene-3-carboxamide;hydrochloride
CID 119588578

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide (CID 55242929) is N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide is CC(C)CC(CN)NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide?
The InChIKey is KPDSYCMRZLKGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8(2)3-12(7-16)17-13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12H,3,7,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide?
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.07, 5 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)-3,5-difluorobenzamide is sourced from PubChem (CID 55242929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).