N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide

C22H18F2N2O4 — CID 9405216

IUPACN-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H18F2N2O4/c23-22(24)30-19-12-8-16(9-13-19)26-20(27)14-25-21(28)15-6-10-18(11-7-15)29-17-4-2-1-3-5-17/h1-13,22H,14H2,(H,25,28)(H,26,27)
InChIKeyPKIJNTWKKYEYCZ-UHFFFAOYSA-N
MW412.39 g/mol
LogP4.45
Rot. Bonds8

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

N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 9405216) has the molecular formula C22H18F2N2O4 and a molecular weight of 412.39 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide
PubChem CID9405216
Molecular FormulaC22H18F2N2O4
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC NameN-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H18F2N2O4/c23-22(24)30-19-12-8-16(9-13-19)26-20(27)14-25-21(28)15-6-10-18(11-7-15)29-17-4-2-1-3-5-17/h1-13,22H,14H2,(H,25,28)(H,26,27)
InChIKeyPKIJNTWKKYEYCZ-UHFFFAOYSA-N
XLogP4.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405088
2-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405069
N-[2-(3-acetylanilino)-2-oxoethyl]-4-(difluoromethoxy)benzamide
CID 7780383
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide
CID 9413646
benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-4-phenoxybenzamide
CID 9165071
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225
4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
CID 18230701
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide (CID 9405216) is N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide is O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is PKIJNTWKKYEYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O4/c23-22(24)30-19-12-8-16(9-13-19)26-20(27)14-25-21(28)15-6-10-18(11-7-15)29-17-4-2-1-3-5-17/h1-13,22H,14H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide?
N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 412.39 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide is sourced from PubChem (CID 9405216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).