N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide

C13H16ClF2NO3 — CID 106243639

IUPACN-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide
SMILESCOCC(Cl)CCNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H16ClF2NO3/c1-19-8-10(14)5-6-17-12(18)9-3-2-4-11(7-9)20-13(15)16/h2-4,7,10,13H,5-6,8H2,1H3,(H,17,18)
InChIKeyWTBJGWZYCOQKRF-UHFFFAOYSA-N
MW307.72 g/mol
LogP2.66
Rot. Bonds8

About N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide

N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide (PubChem CID 106243639) has the molecular formula C13H16ClF2NO3 and a molecular weight of 307.72 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide
PubChem CID106243639
Molecular FormulaC13H16ClF2NO3
Molecular Weight307.72 g/mol
Exact Mass307.08
IUPAC NameN-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide
SMILESCOCC(Cl)CCNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H16ClF2NO3/c1-19-8-10(14)5-6-17-12(18)9-3-2-4-11(7-9)20-13(15)16/h2-4,7,10,13H,5-6,8H2,1H3,(H,17,18)
InChIKeyWTBJGWZYCOQKRF-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(difluoromethoxy)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832660
3,5-dichloro-N-(3-chloro-4-methoxybutyl)benzamide
CID 106244471
2-amino-4-[[3-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 67330500
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
4-bromo-N-(3-chloro-4-methoxybutyl)-3-fluorobenzamide
CID 114163209
N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
CID 78785705
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322
N-(3-chloro-4-methoxybutyl)-3-hydroxy-4-methoxybenzamide
CID 106244636
4-bromo-N-(3-chloro-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243738
N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
CID 43596336
N-(3-chloro-4-methoxybutyl)-4-propan-2-ylbenzamide
CID 106244057

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide (CID 106243639) is N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide is COCC(Cl)CCNC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide?
The InChIKey is WTBJGWZYCOQKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO3/c1-19-8-10(14)5-6-17-12(18)9-3-2-4-11(7-9)20-13(15)16/h2-4,7,10,13H,5-6,8H2,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide?
N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide has a molecular weight of 307.72 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 106243639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).