N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide

C16H14ClF2NO3 — CID 51158712

IUPACN-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cccc(Cl)c2)c1OC(F)F
InChIInChI=1S/C16H14ClF2NO3/c1-22-13-7-3-6-12(14(13)23-16(18)19)15(21)20-9-10-4-2-5-11(17)8-10/h2-8,16H,9H2,1H3,(H,20,21)
InChIKeyPCZXKJAHIMYYRA-UHFFFAOYSA-N
MW341.74 g/mol
LogP3.88
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide

N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 51158712) has the molecular formula C16H14ClF2NO3 and a molecular weight of 341.74 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID51158712
Molecular FormulaC16H14ClF2NO3
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cccc(Cl)c2)c1OC(F)F
InChIInChI=1S/C16H14ClF2NO3/c1-22-13-7-3-6-12(14(13)23-16(18)19)15(21)20-9-10-4-2-5-11(17)8-10/h2-8,16H,9H2,1H3,(H,20,21)
InChIKeyPCZXKJAHIMYYRA-UHFFFAOYSA-N
XLogP3.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide
CID 4851105
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
N-(5-chloro-2-methylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51145397
2-(difluoromethoxy)-3-methoxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820780
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide (CID 51158712) is N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide is COc1cccc(C(=O)NCc2cccc(Cl)c2)c1OC(F)F.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is PCZXKJAHIMYYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO3/c1-22-13-7-3-6-12(14(13)23-16(18)19)15(21)20-9-10-4-2-5-11(17)8-10/h2-8,16H,9H2,1H3,(H,20,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide?
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 341.74 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 51158712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).