N-(5-chloropentyl)-3-(difluoromethoxy)benzamide

C13H16ClF2NO2 — CID 107321329

IUPACN-(5-chloropentyl)-3-(difluoromethoxy)benzamide
SMILESO=C(NCCCCCCl)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H16ClF2NO2/c14-7-2-1-3-8-17-12(18)10-5-4-6-11(9-10)19-13(15)16/h4-6,9,13H,1-3,7-8H2,(H,17,18)
InChIKeyZPJUCTZDKSAVKU-UHFFFAOYSA-N
MW291.72 g/mol
LogP3.43
Rot. Bonds8

About N-(5-chloropentyl)-3-(difluoromethoxy)benzamide

N-(5-chloropentyl)-3-(difluoromethoxy)benzamide (PubChem CID 107321329) has the molecular formula C13H16ClF2NO2 and a molecular weight of 291.72 g/mol. Its IUPAC name is N-(5-chloropentyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-3-(difluoromethoxy)benzamide
PubChem CID107321329
Molecular FormulaC13H16ClF2NO2
Molecular Weight291.72 g/mol
Exact Mass291.08
IUPAC NameN-(5-chloropentyl)-3-(difluoromethoxy)benzamide
SMILESO=C(NCCCCCCl)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H16ClF2NO2/c14-7-2-1-3-8-17-12(18)10-5-4-6-11(9-10)19-13(15)16/h4-6,9,13H,1-3,7-8H2,(H,17,18)
InChIKeyZPJUCTZDKSAVKU-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
CID 78785705
N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
CID 43596336
4-[[3-(difluoromethoxy)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832660
2-amino-4-[[3-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 67330500
N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide
CID 106243639
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
CID 106307036
3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539519
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(5-chloropentyl)-3-(difluoromethoxy)benzamide (CID 107321329) is N-(5-chloropentyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(5-chloropentyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(5-chloropentyl)-3-(difluoromethoxy)benzamide is O=C(NCCCCCCl)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(5-chloropentyl)-3-(difluoromethoxy)benzamide?
The InChIKey is ZPJUCTZDKSAVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO2/c14-7-2-1-3-8-17-12(18)10-5-4-6-11(9-10)19-13(15)16/h4-6,9,13H,1-3,7-8H2,(H,17,18).
What are the key properties of N-(5-chloropentyl)-3-(difluoromethoxy)benzamide?
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide has a molecular weight of 291.72 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 107321329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).