3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide

C15H12ClF2NO3 — CID 38082386

IUPAC3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Cl)c2)cc1OC(F)F
InChIInChI=1S/C15H12ClF2NO3/c1-21-12-6-5-11(8-13(12)22-15(17)18)19-14(20)9-3-2-4-10(16)7-9/h2-8,15H,1H3,(H,19,20)
InChIKeyQVHVDHGHEZAGEE-UHFFFAOYSA-N
MW327.71 g/mol
LogP4.20
Rot. Bonds5

About 3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide

3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide (PubChem CID 38082386) has the molecular formula C15H12ClF2NO3 and a molecular weight of 327.71 g/mol. Its IUPAC name is 3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
PubChem CID38082386
Molecular FormulaC15H12ClF2NO3
Molecular Weight327.71 g/mol
Exact Mass327.05
IUPAC Name3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(Cl)c2)cc1OC(F)F
InChIInChI=1S/C15H12ClF2NO3/c1-21-12-6-5-11(8-13(12)22-15(17)18)19-14(20)9-3-2-4-10(16)7-9/h2-8,15H,1H3,(H,19,20)
InChIKeyQVHVDHGHEZAGEE-UHFFFAOYSA-N
XLogP4.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.71
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46438663
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55758526
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 46540432
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759479
3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide
CID 26247982
N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55915712
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide (CID 38082386) is 3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2cccc(Cl)c2)cc1OC(F)F.
What is the InChIKey of 3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
The InChIKey is QVHVDHGHEZAGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO3/c1-21-12-6-5-11(8-13(12)22-15(17)18)19-14(20)9-3-2-4-10(16)7-9/h2-8,15H,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide?
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide has a molecular weight of 327.71 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide is sourced from PubChem (CID 38082386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).