4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide

C16H13ClF2N2O3 — CID 9405088

IUPAC4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13ClF2N2O3/c17-11-3-1-10(2-4-11)15(23)20-9-14(22)21-12-5-7-13(8-6-12)24-16(18)19/h1-8,16H,9H2,(H,20,23)(H,21,22)
InChIKeyRTWGEYYJDWQUKF-UHFFFAOYSA-N
MW354.74 g/mol
LogP3.31
Rot. Bonds6

About 4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide

4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide (PubChem CID 9405088) has the molecular formula C16H13ClF2N2O3 and a molecular weight of 354.74 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
PubChem CID9405088
Molecular FormulaC16H13ClF2N2O3
Molecular Weight354.74 g/mol
Exact Mass354.06
IUPAC Name4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13ClF2N2O3/c17-11-3-1-10(2-4-11)15(23)20-9-14(22)21-12-5-7-13(8-6-12)24-16(18)19/h1-8,16H,9H2,(H,20,23)(H,21,22)
InChIKeyRTWGEYYJDWQUKF-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide
CID 9405216
2-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405069
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-[2-(3-acetylanilino)-2-oxoethyl]-4-(difluoromethoxy)benzamide
CID 7780383
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
2-(2,5-dichloroanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 26417029
2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434797
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
CID 2447787
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387543
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide (CID 9405088) is 4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide?
The InChIKey is RTWGEYYJDWQUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O3/c17-11-3-1-10(2-4-11)15(23)20-9-14(22)21-12-5-7-13(8-6-12)24-16(18)19/h1-8,16H,9H2,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide has a molecular weight of 354.74 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9405088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).