3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide

C18H17ClN4O3 — CID 87029453

IUPAC3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NCC(=O)Nc2cc(Cl)ccc2C#N)c1
InChIInChI=1S/C18H17ClN4O3/c1-21-18(25)11-4-6-16(26-2)15(7-11)22-10-17(24)23-14-8-13(19)5-3-12(14)9-20/h3-8,22H,10H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyWRPYPJHPVVFPJM-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.63
Rot. Bonds6

About 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide

3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide (PubChem CID 87029453) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
PubChem CID87029453
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NCC(=O)Nc2cc(Cl)ccc2C#N)c1
InChIInChI=1S/C18H17ClN4O3/c1-21-18(25)11-4-6-16(26-2)15(7-11)22-10-17(24)23-14-8-13(19)5-3-12(14)9-20/h3-8,22H,10H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyWRPYPJHPVVFPJM-UHFFFAOYSA-N
XLogP2.63
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79737452
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543562
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057
3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60536487
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136464
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide (CID 87029453) is 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(NCC(=O)Nc2cc(Cl)ccc2C#N)c1.
What is the InChIKey of 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide?
The InChIKey is WRPYPJHPVVFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-21-18(25)11-4-6-16(26-2)15(7-11)22-10-17(24)23-14-8-13(19)5-3-12(14)9-20/h3-8,22H,10H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide?
3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide has a molecular weight of 372.81 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 87029453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).