N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide

C24H23ClN2O4 — CID 2968671

IUPACN-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCOc1ccccc1NC(=O)C(C)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C24H23ClN2O4/c1-3-30-22-11-7-6-10-21(22)27-23(28)16(2)31-18-14-12-17(13-15-18)24(29)26-20-9-5-4-8-19(20)25/h4-16H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHJOUPIXGNPZFQH-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.40
Rot. Bonds8

About N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide

N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 2968671) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID2968671
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC NameN-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCOc1ccccc1NC(=O)C(C)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C24H23ClN2O4/c1-3-30-22-11-7-6-10-21(22)27-23(28)16(2)31-18-14-12-17(13-15-18)24(29)26-20-9-5-4-8-19(20)25/h4-16H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHJOUPIXGNPZFQH-UHFFFAOYSA-N
XLogP5.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
CID 4055433
N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 156704842
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 3410170
N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
CID 43008457
N-(2-chlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953273
pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 7695459
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 4248244

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide (CID 2968671) is N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide is CCOc1ccccc1NC(=O)C(C)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is HJOUPIXGNPZFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-3-30-22-11-7-6-10-21(22)27-23(28)16(2)31-18-14-12-17(13-15-18)24(29)26-20-9-5-4-8-19(20)25/h4-16H,3H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide?
N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 438.91 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 2968671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).