N-(cyanomethyl)-2-(4-phenylanilino)acetamide

C16H15N3O — CID 62254224

IUPACN-(cyanomethyl)-2-(4-phenylanilino)acetamide
SMILESN#CCNC(=O)CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15N3O/c17-10-11-18-16(20)12-19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19H,11-12H2,(H,18,20)
InChIKeyYMFREXUHFXSSMT-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.41
Rot. Bonds5

About N-(cyanomethyl)-2-(4-phenylanilino)acetamide

N-(cyanomethyl)-2-(4-phenylanilino)acetamide (PubChem CID 62254224) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(4-phenylanilino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(4-phenylanilino)acetamide
PubChem CID62254224
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(cyanomethyl)-2-(4-phenylanilino)acetamide
SMILESN#CCNC(=O)CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15N3O/c17-10-11-18-16(20)12-19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19H,11-12H2,(H,18,20)
InChIKeyYMFREXUHFXSSMT-UHFFFAOYSA-N
XLogP2.41
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylanilino)-N-propylacetamide
CID 47117859
N-(cyanomethyl)-2-[4-(dimethylamino)anilino]acetamide
CID 43617058
N-(2-methylpropyl)-2-(4-phenylanilino)acetamide
CID 60647076
2-anilino-N-(3-cyanopropyl)acetamide
CID 62666657
N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide
CID 63180100
N-(2-acetylphenyl)-2-(4-phenylanilino)acetamide
CID 39912347
2-anilino-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 60671281
2-(4-benzoylanilino)acetonitrile
CID 57025219
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
N-[2-(4-phenylanilino)ethyl]acetamide
CID 103604100
N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide
CID 43146653
methyl 3-[(2-anilinoacetyl)amino]propanoate
CID 60671204

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(4-phenylanilino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(4-phenylanilino)acetamide (CID 62254224) is N-(cyanomethyl)-2-(4-phenylanilino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(4-phenylanilino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(4-phenylanilino)acetamide is N#CCNC(=O)CNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(cyanomethyl)-2-(4-phenylanilino)acetamide?
The InChIKey is YMFREXUHFXSSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-10-11-18-16(20)12-19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,19H,11-12H2,(H,18,20).
What are the key properties of N-(cyanomethyl)-2-(4-phenylanilino)acetamide?
N-(cyanomethyl)-2-(4-phenylanilino)acetamide has a molecular weight of 265.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(4-phenylanilino)acetamide is sourced from PubChem (CID 62254224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).