N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide

C16H15N3O2 — CID 39381074

IUPACN-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
SMILESCOc1cccc(NCC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H15N3O2/c1-21-15-4-2-3-14(9-15)18-11-16(20)19-13-7-5-12(10-17)6-8-13/h2-9,18H,11H2,1H3,(H,19,20)
InChIKeySDYRCTCMLVWLTC-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.62
Rot. Bonds5

About N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide

N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide (PubChem CID 39381074) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
PubChem CID39381074
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
SMILESCOc1cccc(NCC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H15N3O2/c1-21-15-4-2-3-14(9-15)18-11-16(20)19-13-7-5-12(10-17)6-8-13/h2-9,18H,11H2,1H3,(H,19,20)
InChIKeySDYRCTCMLVWLTC-UHFFFAOYSA-N
XLogP2.62
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide
CID 167917130
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54814544
2-(3-ethynylanilino)-N-(4-methoxyphenyl)acetamide
CID 28564126
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 90177361
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide (CID 39381074) is N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide is COc1cccc(NCC(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide?
The InChIKey is SDYRCTCMLVWLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15-4-2-3-14(9-15)18-11-16(20)19-13-7-5-12(10-17)6-8-13/h2-9,18H,11H2,1H3,(H,19,20).
What are the key properties of N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide?
N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide is sourced from PubChem (CID 39381074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).