2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide

C20H21ClN2O4 — CID 55835897

IUPAC2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cc1
InChIInChI=1S/C20H21ClN2O4/c1-3-27-15-7-4-13(5-8-15)18(24)10-11-19(25)23-14-6-9-17(21)16(12-14)20(26)22-2/h4-9,12H,3,10-11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyDTDZGVQFTPFKOF-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.70
Rot. Bonds8

About 2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide

2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide (PubChem CID 55835897) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
PubChem CID55835897
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cc1
InChIInChI=1S/C20H21ClN2O4/c1-3-27-15-7-4-13(5-8-15)18(24)10-11-19(25)23-14-6-9-17(21)16(12-14)20(26)22-2/h4-9,12H,3,10-11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyDTDZGVQFTPFKOF-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977
2-chloro-5-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55991884
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide
CID 7910651
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 86860404
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
CID 62835283
N-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226004
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750963
methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate
CID 110306530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide (CID 55835897) is 2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(C(=O)NC)c2)cc1.
What is the InChIKey of 2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
The InChIKey is DTDZGVQFTPFKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-3-27-15-7-4-13(5-8-15)18(24)10-11-19(25)23-14-6-9-17(21)16(12-14)20(26)22-2/h4-9,12H,3,10-11H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide has a molecular weight of 388.85 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55835897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).