N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide

C16H14ClN3O2 — CID 26437475

IUPACN-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1Cl
InChIInChI=1S/C16H14ClN3O2/c1-22-15-7-6-13(8-14(15)17)20-16(21)10-19-12-4-2-11(9-18)3-5-12/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyYYXJSTATWDGWCN-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.27
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide (PubChem CID 26437475) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
PubChem CID26437475
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1Cl
InChIInChI=1S/C16H14ClN3O2/c1-22-15-7-6-13(8-14(15)17)20-16(21)10-19-12-4-2-11(9-18)3-5-12/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyYYXJSTATWDGWCN-UHFFFAOYSA-N
XLogP3.27
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
N-(3-chloro-4-methoxyphenyl)-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112812610
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(3-chloro-4-methoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822051

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide (CID 26437475) is N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide is COc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide?
The InChIKey is YYXJSTATWDGWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-22-15-7-6-13(8-14(15)17)20-16(21)10-19-12-4-2-11(9-18)3-5-12/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide has a molecular weight of 315.76 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide is sourced from PubChem (CID 26437475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).