N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide

C14H20F2N2O2 — CID 107158740

IUPACN-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
SMILESCC(C)CC(N)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-9(2)7-10(17)8-18-13(19)11-5-3-4-6-12(11)20-14(15)16/h3-6,9-10,14H,7-8,17H2,1-2H3,(H,18,19)
InChIKeyHNPUGFSZRNMKIL-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.39
Rot. Bonds7

About N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide

N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide (PubChem CID 107158740) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
PubChem CID107158740
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
SMILESCC(C)CC(N)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H20F2N2O2/c1-9(2)7-10(17)8-18-13(19)11-5-3-4-6-12(11)20-14(15)16/h3-6,9-10,14H,7-8,17H2,1-2H3,(H,18,19)
InChIKeyHNPUGFSZRNMKIL-UHFFFAOYSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
CID 113492971
N-(2-amino-4-methylpentyl)-2-fluorobenzamide
CID 107158830
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
CID 66091129
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
CID 65220322
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
CID 107158720
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
CID 106107907
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide (CID 107158740) is N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide is CC(C)CC(N)CNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide?
The InChIKey is HNPUGFSZRNMKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-9(2)7-10(17)8-18-13(19)11-5-3-4-6-12(11)20-14(15)16/h3-6,9-10,14H,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide?
N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide has a molecular weight of 286.32 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 107158740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).