2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide

C17H15ClF2N2O3 — CID 7941475

IUPAC2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H15ClF2N2O3/c18-12-6-2-1-5-11(12)16(24)21-10-9-15(23)22-13-7-3-4-8-14(13)25-17(19)20/h1-8,17H,9-10H2,(H,21,24)(H,22,23)
InChIKeyVNNRTTAOUFPYBJ-UHFFFAOYSA-N
MW368.77 g/mol
LogP3.70
Rot. Bonds7

About 2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide

2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide (PubChem CID 7941475) has the molecular formula C17H15ClF2N2O3 and a molecular weight of 368.77 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide
PubChem CID7941475
Molecular FormulaC17H15ClF2N2O3
Molecular Weight368.77 g/mol
Exact Mass368.07
IUPAC Name2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H15ClF2N2O3/c18-12-6-2-1-5-11(12)16(24)21-10-9-15(23)22-13-7-3-4-8-14(13)25-17(19)20/h1-8,17H,9-10H2,(H,21,24)(H,22,23)
InChIKeyVNNRTTAOUFPYBJ-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 51237492
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7958134
2-amino-3-chloro-N-[2-(difluoromethoxy)phenyl]benzamide
CID 115540029
2-[2-(2-chlorophenoxy)anilino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35822670
N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide
CID 67218627
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
CID 7959132
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium
CID 8598301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide (CID 7941475) is 2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide?
The InChIKey is VNNRTTAOUFPYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O3/c18-12-6-2-1-5-11(12)16(24)21-10-9-15(23)22-13-7-3-4-8-14(13)25-17(19)20/h1-8,17H,9-10H2,(H,21,24)(H,22,23).
What are the key properties of 2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide has a molecular weight of 368.77 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 7941475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).