N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide

C18H16FN3O2 — CID 18421684

IUPACN-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide
SMILESN#CCNC(=O)NC(=O)c1ccccc1CCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c19-15-9-6-13(7-10-15)5-8-14-3-1-2-4-16(14)17(23)22-18(24)21-12-11-20/h1-4,6-7,9-10H,5,8,12H2,(H2,21,22,23,24)
InChIKeyQDYIQTUPPSXRAO-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.57
Rot. Bonds5

About N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide

N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 18421684) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID18421684
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide
SMILESN#CCNC(=O)NC(=O)c1ccccc1CCc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c19-15-9-6-13(7-10-15)5-8-14-3-1-2-4-16(14)17(23)22-18(24)21-12-11-20/h1-4,6-7,9-10H,5,8,12H2,(H2,21,22,23,24)
InChIKeyQDYIQTUPPSXRAO-UHFFFAOYSA-N
XLogP2.57
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.57
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-[2-(4-fluorophenyl)ethyl]benzoic acid
CID 22015801
N'-(4-fluorobenzoyl)-2-(2-phenylethyl)benzohydrazide
CID 55333894
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 94019464
2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
CID 108867707
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196
N-[2-(ethylamino)ethyl]-2-(2-phenylethyl)benzamide;hydrochloride
CID 119507829
methyl 2-(2-phenylethyl)benzoate
CID 59701000
N-[2-(4-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 32979164
methyl 2-[2-[2-(4-fluorophenyl)ethyl]phenyl]-3,3-bis(methylsulfanyl)propanoate
CID 19879671
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide
CID 60553593
1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide (CID 18421684) is N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide is N#CCNC(=O)NC(=O)c1ccccc1CCc1ccc(F)cc1.
What is the InChIKey of N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is QDYIQTUPPSXRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-15-9-6-13(7-10-15)5-8-14-3-1-2-4-16(14)17(23)22-18(24)21-12-11-20/h1-4,6-7,9-10H,5,8,12H2,(H2,21,22,23,24).
What are the key properties of N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide?
N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethylcarbamoyl)-2-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 18421684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).