N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide

C16H14F2N2O3 — CID 32637415

IUPACN-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C16H14F2N2O3/c17-16(18)23-13-7-2-1-6-12(13)15(22)20-9-10-4-3-5-11(8-10)14(19)21/h1-8,16H,9H2,(H2,19,21)(H,20,22)
InChIKeyCJIFWFGRJRMKAP-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.32
Rot. Bonds6

About N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide

N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide (PubChem CID 32637415) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide
PubChem CID32637415
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccccc2OC(F)F)c1
InChIInChI=1S/C16H14F2N2O3/c17-16(18)23-13-7-2-1-6-12(13)15(22)20-9-10-4-3-5-11(8-10)14(19)21/h1-8,16H,9H2,(H2,19,21)(H,20,22)
InChIKeyCJIFWFGRJRMKAP-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminophenyl)methyl]-2-(difluoromethoxy)benzamide
CID 62499799
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)benzamide
CID 4851105
3-[[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111865562
N-[(3-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methoxy]benzamide
CID 32636544
3-[[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111865561
N-[(3-carbamoylphenyl)methyl]-2-[(2-chlorophenyl)methoxy]benzamide
CID 32636545
N-[(3-carbamothioylphenyl)methyl]-2-methoxybenzamide
CID 62311612
2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46422070
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
3-[[[[[2-(difluoromethoxy)phenyl]methylamino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111866349

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide (CID 32637415) is N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide is NC(=O)c1cccc(CNC(=O)c2ccccc2OC(F)F)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide?
The InChIKey is CJIFWFGRJRMKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-16(18)23-13-7-2-1-6-12(13)15(22)20-9-10-4-3-5-11(8-10)14(19)21/h1-8,16H,9H2,(H2,19,21)(H,20,22).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide?
N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide has a molecular weight of 320.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 32637415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).