N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide

C13H18F2N2O — CID 106152842

IUPACN-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
SMILESCC(CN)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-9(8-16)3-2-6-17-13(18)11-5-4-10(14)7-12(11)15/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,18)
InChIKeyLWECIQRLOXBBCI-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.07
Rot. Bonds6

About N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide

N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide (PubChem CID 106152842) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
PubChem CID106152842
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
SMILESCC(CN)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-9(8-16)3-2-6-17-13(18)11-5-4-10(14)7-12(11)15/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,18)
InChIKeyLWECIQRLOXBBCI-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
CID 106153590
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-(3-cyanopropyl)-2,4-difluorobenzamide
CID 62667575
N-(5-amino-4-methylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106152815
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
4-fluoro-2-hydroxy-N-(4-methylpentyl)benzamide
CID 103829717
2-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 110495256
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
CID 106153328
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide (CID 106152842) is N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide is CC(CN)CCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide?
The InChIKey is LWECIQRLOXBBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9(8-16)3-2-6-17-13(18)11-5-4-10(14)7-12(11)15/h4-5,7,9H,2-3,6,8,16H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide?
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide is sourced from PubChem (CID 106152842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).