4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide

C19H20ClF2NO4 — CID 18266478

IUPAC4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OC
InChIInChI=1S/C19H20ClF2NO4/c1-3-4-9-26-17-15(20)10-12(11-16(17)25-2)18(24)23-13-5-7-14(8-6-13)27-19(21)22/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyWFWAXZABLYLYLS-UHFFFAOYSA-N
MW399.82 g/mol
LogP5.38
Rot. Bonds9

About 4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide

4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide (PubChem CID 18266478) has the molecular formula C19H20ClF2NO4 and a molecular weight of 399.82 g/mol. Its IUPAC name is 4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide
PubChem CID18266478
Molecular FormulaC19H20ClF2NO4
Molecular Weight399.82 g/mol
Exact Mass399.10
IUPAC Name4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OC
InChIInChI=1S/C19H20ClF2NO4/c1-3-4-9-26-17-15(20)10-12(11-16(17)25-2)18(24)23-13-5-7-14(8-6-13)27-19(21)22/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyWFWAXZABLYLYLS-UHFFFAOYSA-N
XLogP5.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.82
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
CID 26908340
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide?
The IUPAC name of 4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide (CID 18266478) is 4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide.
What is the SMILES notation for 4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide?
The canonical SMILES for 4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide is CCCCOc1c(Cl)cc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OC.
What is the InChIKey of 4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide?
The InChIKey is WFWAXZABLYLYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2NO4/c1-3-4-9-26-17-15(20)10-12(11-16(17)25-2)18(24)23-13-5-7-14(8-6-13)27-19(21)22/h5-8,10-11,19H,3-4,9H2,1-2H3,(H,23,24).
What are the key properties of 4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide?
4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide has a molecular weight of 399.82 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide is sourced from PubChem (CID 18266478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).