4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide

C24H24ClN3O3 — CID 60583133

IUPAC4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
SMILESCCOc1ccccc1NC(=O)C(C)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClN3O3/c1-3-31-22-7-5-4-6-21(22)28-23(29)16(2)26-19-12-14-20(15-13-19)27-24(30)17-8-10-18(25)11-9-17/h4-16,26H,3H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyZCEZWMJBCMHRNV-UHFFFAOYSA-N
MW437.93 g/mol
LogP5.43
Rot. Bonds8

About 4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide

4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide (PubChem CID 60583133) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
PubChem CID60583133
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
SMILESCCOc1ccccc1NC(=O)C(C)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClN3O3/c1-3-31-22-7-5-4-6-21(22)28-23(29)16(2)26-19-12-14-20(15-13-19)27-24(30)17-8-10-18(25)11-9-17/h4-16,26H,3H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyZCEZWMJBCMHRNV-UHFFFAOYSA-N
XLogP5.43
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide
CID 55684249
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
2-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-N-(2-ethoxyphenyl)propanamide
CID 60542586
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4103293
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034282
3-(4-chlorophenyl)-2-cyano-N-(2-ethoxyphenyl)-3-oxopropanamide
CID 51086465
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide (CID 60583133) is 4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide is CCOc1ccccc1NC(=O)C(C)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide?
The InChIKey is ZCEZWMJBCMHRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-3-31-22-7-5-4-6-21(22)28-23(29)16(2)26-19-12-14-20(15-13-19)27-24(30)17-8-10-18(25)11-9-17/h4-16,26H,3H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide?
4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide has a molecular weight of 437.93 g/mol, XLogP of 5.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide is sourced from PubChem (CID 60583133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).