2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide

C17H15N5O3 — CID 168523939

IUPAC2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1C(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C17H15N5O3/c18-11-10-15(23)20-14-9-5-4-8-13(14)16(24)21-22-17(25)19-12-6-2-1-3-7-12/h1-9H,10H2,(H,20,23)(H,21,24)(H2,19,22,25)
InChIKeyATVZRBGBGXPRKE-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.01
Rot. Bonds4

About 2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide

2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide (PubChem CID 168523939) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide
PubChem CID168523939
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1C(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C17H15N5O3/c18-11-10-15(23)20-14-9-5-4-8-13(14)16(24)21-22-17(25)19-12-6-2-1-3-7-12/h1-9H,10H2,(H,20,23)(H,21,24)(H2,19,22,25)
InChIKeyATVZRBGBGXPRKE-UHFFFAOYSA-N
XLogP2.01
TPSA123.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
CID 168522524
2-cyano-N-[2-[[(4-methoxyphenyl)carbamothioylamino]carbamoyl]phenyl]acetamide
CID 168523506
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
1-[(2-chlorobenzoyl)amino]-3-phenylurea
CID 904342
benzyl 2-[(2-cyanoacetyl)amino]benzoate
CID 168523295
2-amino-N'-(2-cyanoacetyl)benzohydrazide
CID 130018027
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-fluorobenzamide
CID 108922857
2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
CID 168521609
2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 168521320
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide (CID 168523939) is 2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide is N#CCC(=O)Nc1ccccc1C(=O)NNC(=O)Nc1ccccc1.
What is the InChIKey of 2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide?
The InChIKey is ATVZRBGBGXPRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c18-11-10-15(23)20-14-9-5-4-8-13(14)16(24)21-22-17(25)19-12-6-2-1-3-7-12/h1-9H,10H2,(H,20,23)(H,21,24)(H2,19,22,25).
What are the key properties of 2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide?
2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide is sourced from PubChem (CID 168523939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).