3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide

C22H26ClN3O3 — CID 54831344

IUPAC3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESCOc1ccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)cc1Cl
InChIInChI=1S/C22H26ClN3O3/c1-29-20-11-10-18(13-19(20)23)25-21(27)14-24-17-9-5-6-15(12-17)22(28)26-16-7-3-2-4-8-16/h5-6,9-13,16,24H,2-4,7-8,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyBYMZTPQVDALANG-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.46
Rot. Bonds7

About 3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide

3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide (PubChem CID 54831344) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
PubChem CID54831344
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
SMILESCOc1ccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)cc1Cl
InChIInChI=1S/C22H26ClN3O3/c1-29-20-11-10-18(13-19(20)23)25-21(27)14-24-17-9-5-6-15(12-17)22(28)26-16-7-3-2-4-8-16/h5-6,9-13,16,24H,2-4,7-8,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyBYMZTPQVDALANG-UHFFFAOYSA-N
XLogP4.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160
1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050788
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
N-cyclohexyl-3-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816369
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54844067
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
2-chloro-4-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 33006842
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831343

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide (CID 54831344) is 3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide is COc1ccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)cc1Cl.
What is the InChIKey of 3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
The InChIKey is BYMZTPQVDALANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-29-20-11-10-18(13-19(20)23)25-21(27)14-24-17-9-5-6-15(12-17)22(28)26-16-7-3-2-4-8-16/h5-6,9-13,16,24H,2-4,7-8,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide?
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide has a molecular weight of 415.92 g/mol, XLogP of 4.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54831344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).