2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide

C24H24ClN3O2 — CID 9103398

IUPAC2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H24ClN3O2/c1-17-20(25)11-7-13-21(17)28-23(29)16-27-22-12-6-5-10-19(22)24(30)26-15-14-18-8-3-2-4-9-18/h2-13,27H,14-16H2,1H3,(H,26,30)(H,28,29)
InChIKeyHJPCCJPTTCGAEN-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.67
Rot. Bonds8

About 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide

2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 9103398) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID9103398
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C24H24ClN3O2/c1-17-20(25)11-7-13-21(17)28-23(29)16-27-22-12-6-5-10-19(22)24(30)26-15-14-18-8-3-2-4-9-18/h2-13,27H,14-16H2,1H3,(H,26,30)(H,28,29)
InChIKeyHJPCCJPTTCGAEN-UHFFFAOYSA-N
XLogP4.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103465
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103404
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
6-N-(3-chloro-2-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098456
2-[[2-(2-chlorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29456122
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005057
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
2-[[2-[4-chloro-2-(4-methylphenyl)sulfonylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 22305239
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 16547944
N-[2-(4-methoxyphenyl)ethyl]-2-[[2-(2-methyl-3-nitroanilino)-2-oxoethyl]amino]benzamide
CID 4882581
2-[[2-[3-bromo-2-(4-methylphenyl)sulfonylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 22307585

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide (CID 9103398) is 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide is Cc1c(Cl)cccc1NC(=O)CNc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is HJPCCJPTTCGAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-17-20(25)11-7-13-21(17)28-23(29)16-27-22-12-6-5-10-19(22)24(30)26-15-14-18-8-3-2-4-9-18/h2-13,27H,14-16H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide?
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 421.93 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 9103398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).