N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide

C14H15FN4O2 — CID 78894739

IUPACN-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C14H15FN4O2/c15-11-3-4-12(10(7-11)8-16)19-14(21)18-6-5-17-13(20)9-1-2-9/h3-4,7,9H,1-2,5-6H2,(H,17,20)(H2,18,19,21)
InChIKeyUUTULXNOIDEYQO-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.35
Rot. Bonds5

About N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide

N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide (PubChem CID 78894739) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide
PubChem CID78894739
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C14H15FN4O2/c15-11-3-4-12(10(7-11)8-16)19-14(21)18-6-5-17-13(20)9-1-2-9/h3-4,7,9H,1-2,5-6H2,(H,17,20)(H2,18,19,21)
InChIKeyUUTULXNOIDEYQO-UHFFFAOYSA-N
XLogP1.35
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyano-4-fluorophenyl)-3-(3,3,3-trifluoropropyl)urea
CID 78894621
1-(2-cyano-4-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115577068
1-(2-cyano-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 78894519
1-(2-cyano-4-fluorophenyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111926832
cis-(1R,3S)-3-[(2-cyano-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319928
5-[(2-cyano-4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686878
1-(2-cyano-4-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)butyl]urea
CID 78896559
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-N-ethylacetamide
CID 78839111
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
3-[(2-cyano-4-fluorophenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 82015353
1-(2-cyano-4-fluorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111926835

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide (CID 78894739) is N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide is N#Cc1cc(F)ccc1NC(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is UUTULXNOIDEYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-11-3-4-12(10(7-11)8-16)19-14(21)18-6-5-17-13(20)9-1-2-9/h3-4,7,9H,1-2,5-6H2,(H,17,20)(H2,18,19,21).
What are the key properties of N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 78894739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).