4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide

C15H11ClF2N2O3 — CID 56785873

IUPAC4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C15H11ClF2N2O3/c16-11-5-4-8(13(19)21)7-12(11)20-14(22)9-2-1-3-10(6-9)23-15(17)18/h1-7,15H,(H2,19,21)(H,20,22)
InChIKeyASRMEGKZTRINTH-UHFFFAOYSA-N
MW340.71 g/mol
LogP3.29
Rot. Bonds5

About 4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide

4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide (PubChem CID 56785873) has the molecular formula C15H11ClF2N2O3 and a molecular weight of 340.71 g/mol. Its IUPAC name is 4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide
PubChem CID56785873
Molecular FormulaC15H11ClF2N2O3
Molecular Weight340.71 g/mol
Exact Mass340.04
IUPAC Name4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C15H11ClF2N2O3/c16-11-5-4-8(13(19)21)7-12(11)20-14(22)9-2-1-3-10(6-9)23-15(17)18/h1-7,15H,(H2,19,21)(H,20,22)
InChIKeyASRMEGKZTRINTH-UHFFFAOYSA-N
XLogP3.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.71
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(3-methoxybenzoyl)amino]benzamide
CID 50875837
3-amino-4-chloro-N-[3-(difluoromethoxy)phenyl]benzamide
CID 43706007
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901
N-(4-chloro-2-iodophenyl)-3-(difluoromethoxy)benzamide
CID 103766634
4-[[3-(difluoromethoxy)benzoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412265
3-[[3-[(2S)-butan-2-yl]oxybenzoyl]amino]-4-chlorobenzoic acid
CID 28673178
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide
CID 43549460
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
2-chloro-N'-[3-(difluoromethoxy)benzoyl]benzohydrazide
CID 35929254
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide?
The IUPAC name of 4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide (CID 56785873) is 4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for 4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide?
The canonical SMILES for 4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide is NC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OC(F)F)c2)c1.
What is the InChIKey of 4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide?
The InChIKey is ASRMEGKZTRINTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O3/c16-11-5-4-8(13(19)21)7-12(11)20-14(22)9-2-1-3-10(6-9)23-15(17)18/h1-7,15H,(H2,19,21)(H,20,22).
What are the key properties of 4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide?
4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide has a molecular weight of 340.71 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[3-(difluoromethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 56785873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).