N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide

C13H16ClF2NO2 — CID 114305939

IUPACN-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
SMILESCC(CCCCl)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H16ClF2NO2/c1-9(3-2-8-14)17-12(18)10-4-6-11(7-5-10)19-13(15)16/h4-7,9,13H,2-3,8H2,1H3,(H,17,18)
InChIKeyXJJVFLPAMNGRLO-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.43
Rot. Bonds7

About N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide

N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide (PubChem CID 114305939) has the molecular formula C13H16ClF2NO2 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
PubChem CID114305939
Molecular FormulaC13H16ClF2NO2
Molecular Weight291.73 g/mol
Exact Mass291.08
IUPAC NameN-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
SMILESCC(CCCCl)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H16ClF2NO2/c1-9(3-2-8-14)17-12(18)10-4-6-11(7-5-10)19-13(15)16/h4-7,9,13H,2-3,8H2,1H3,(H,17,18)
InChIKeyXJJVFLPAMNGRLO-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 90653962
3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305934
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
CID 2366971
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
3-bromo-N-(5-chloropentan-2-yl)-4-fluorobenzamide
CID 107956695
3-chloro-N-(5-chloropentan-2-yl)-4-methylbenzamide
CID 114305932
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
4-[4-(3-chloropropoxy)phenyl]-N-propan-2-ylbenzamide
CID 18354763
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide (CID 114305939) is N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide is CC(CCCCl)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide?
The InChIKey is XJJVFLPAMNGRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO2/c1-9(3-2-8-14)17-12(18)10-4-6-11(7-5-10)19-13(15)16/h4-7,9,13H,2-3,8H2,1H3,(H,17,18).
What are the key properties of N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide?
N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide has a molecular weight of 291.73 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 114305939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).