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

C15H12ClF2NO3 — CID 843446

IUPACN-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1Cl
InChIInChI=1S/C15H12ClF2NO3/c1-21-13-6-5-10(8-12(13)16)19-14(20)9-3-2-4-11(7-9)22-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyMPEKVVQKODQYJT-UHFFFAOYSA-N
MW327.71 g/mol
LogP4.20
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide (PubChem CID 843446) has the molecular formula C15H12ClF2NO3 and a molecular weight of 327.71 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide
PubChem CID843446
Molecular FormulaC15H12ClF2NO3
Molecular Weight327.71 g/mol
Exact Mass327.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1Cl
InChIInChI=1S/C15H12ClF2NO3/c1-21-13-6-5-10(8-12(13)16)19-14(20)9-3-2-4-11(7-9)22-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyMPEKVVQKODQYJT-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

Triflumuron
CID 47445
Hexaflumuron
CID 91741
Novaluron
CID 93541
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
3'-Chloro-4-methoxybenzanilide
CID 346039
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
N-(2-fluorophenyl)-3-methoxybenzamide
CID 532855
3-methoxy-N-(4-methylphenyl)benzamide
CID 827641
3-methoxy-N-phenylbenzamide
CID 835330
N-(5-Chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(3-Chloro-4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 969075

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide (CID 843446) is N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide is COc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide?
The InChIKey is MPEKVVQKODQYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO3/c1-21-13-6-5-10(8-12(13)16)19-14(20)9-3-2-4-11(7-9)22-15(17)18/h2-8,15H,1H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide?
N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)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 N-(3-chloro-4-methoxyphenyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 843446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).