N-(1-aminohexan-2-yl)-2,4-difluorobenzamide

C13H18F2N2O — CID 80698461

IUPACN-(1-aminohexan-2-yl)-2,4-difluorobenzamide
SMILESCCCCC(CN)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-2-3-4-10(8-16)17-13(18)11-6-5-9(14)7-12(11)15/h5-7,10H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyPBWKWTVEVFZDSZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.21
Rot. Bonds6

About N-(1-aminohexan-2-yl)-2,4-difluorobenzamide

N-(1-aminohexan-2-yl)-2,4-difluorobenzamide (PubChem CID 80698461) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2,4-difluorobenzamide
PubChem CID80698461
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(1-aminohexan-2-yl)-2,4-difluorobenzamide
SMILESCCCCC(CN)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-2-3-4-10(8-16)17-13(18)11-6-5-9(14)7-12(11)15/h5-7,10H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyPBWKWTVEVFZDSZ-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119665751
N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride
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2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
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CID 113281709
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N-(1-aminohexan-2-yl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 119666493
N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
CID 119665027
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2,4-difluorobenzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2,4-difluorobenzamide (CID 80698461) is N-(1-aminohexan-2-yl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2,4-difluorobenzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2,4-difluorobenzamide is CCCCC(CN)NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(1-aminohexan-2-yl)-2,4-difluorobenzamide?
The InChIKey is PBWKWTVEVFZDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-3-4-10(8-16)17-13(18)11-6-5-9(14)7-12(11)15/h5-7,10H,2-4,8,16H2,1H3,(H,17,18).
What are the key properties of N-(1-aminohexan-2-yl)-2,4-difluorobenzamide?
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2,4-difluorobenzamide is sourced from PubChem (CID 80698461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).