N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide

C24H23FN2O4 — CID 156704842

IUPACN-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O4/c1-3-30-22-11-7-6-10-21(22)27-24(29)17-12-14-18(15-13-17)31-16(2)23(28)26-20-9-5-4-8-19(20)25/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyLBRBITAHJURLCU-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.88
Rot. Bonds8

About N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide

N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 156704842) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID156704842
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC NameN-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O4/c1-3-30-22-11-7-6-10-21(22)27-24(29)17-12-14-18(15-13-17)31-16(2)23(28)26-20-9-5-4-8-19(20)25/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyLBRBITAHJURLCU-UHFFFAOYSA-N
XLogP4.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671
N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
CID 43008457
4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
CID 4055433
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 3410170
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931375
pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 7695459
(2S)-N-(2-ethoxyphenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 1225337
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 1179494
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
CID 9413695

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide (CID 156704842) is N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide is CCOc1ccccc1NC(=O)c1ccc(OC(C)C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is LBRBITAHJURLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-3-30-22-11-7-6-10-21(22)27-24(29)17-12-14-18(15-13-17)31-16(2)23(28)26-20-9-5-4-8-19(20)25/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide?
N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 422.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 156704842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).