N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide

C17H16ClN3O3 — CID 109011243

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide
SMILESCOc1cc(NC(=O)CNc2ccccc2C#N)c(OC)cc1Cl
InChIInChI=1S/C17H16ClN3O3/c1-23-15-8-14(16(24-2)7-12(15)18)21-17(22)10-20-13-6-4-3-5-11(13)9-19/h3-8,20H,10H2,1-2H3,(H,21,22)
InChIKeyYTSLSGYAVLZBBH-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.28
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide (PubChem CID 109011243) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide
PubChem CID109011243
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide
SMILESCOc1cc(NC(=O)CNc2ccccc2C#N)c(OC)cc1Cl
InChIInChI=1S/C17H16ClN3O3/c1-23-15-8-14(16(24-2)7-12(15)18)21-17(22)10-20-13-6-4-3-5-11(13)9-19/h3-8,20H,10H2,1-2H3,(H,21,22)
InChIKeyYTSLSGYAVLZBBH-UHFFFAOYSA-N
XLogP3.28
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)propanediamide
CID 108956910
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide
CID 108501670
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide
CID 55897928
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 42026315
2-[(4-chloro-2,5-dimethoxyanilino)methyl]benzonitrile
CID 29277459
2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide (CID 109011243) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide is COc1cc(NC(=O)CNc2ccccc2C#N)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide?
The InChIKey is YTSLSGYAVLZBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-23-15-8-14(16(24-2)7-12(15)18)21-17(22)10-20-13-6-4-3-5-11(13)9-19/h3-8,20H,10H2,1-2H3,(H,21,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide has a molecular weight of 345.79 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide is sourced from PubChem (CID 109011243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).