4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide

C23H19ClN4O3 — CID 4879754

IUPAC4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cc1
InChIInChI=1S/C23H19ClN4O3/c1-31-20-10-8-18(9-11-20)28-23(30)15-2-5-17(6-3-15)26-14-22(29)27-19-7-4-16(13-25)21(24)12-19/h2-12,26H,14H2,1H3,(H,27,29)(H,28,30)
InChIKeySXFXYJHHUDPIBD-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.52
Rot. Bonds7

About 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide

4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 4879754) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID4879754
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cc1
InChIInChI=1S/C23H19ClN4O3/c1-31-20-10-8-18(9-11-20)28-23(30)15-2-5-17(6-3-15)26-14-22(29)27-19-7-4-16(13-25)21(24)12-19/h2-12,26H,14H2,1H3,(H,27,29)(H,28,30)
InChIKeySXFXYJHHUDPIBD-UHFFFAOYSA-N
XLogP4.52
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586008
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide
CID 60587877
N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide
CID 30538923
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
N-(3-chloro-4-cyanophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652495
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
N-(4-methoxyphenyl)-4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]benzamide
CID 37475742
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26437531
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide
CID 71027238
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide (CID 4879754) is 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NCC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)cc1.
What is the InChIKey of 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is SXFXYJHHUDPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-31-20-10-8-18(9-11-20)28-23(30)15-2-5-17(6-3-15)26-14-22(29)27-19-7-4-16(13-25)21(24)12-19/h2-12,26H,14H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 434.88 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 4879754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).