(E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide

C15H19F2N3O2 — CID 68876188

IUPAC(E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide
SMILESNC(=O)/C(F)=C\CCCCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H19F2N3O2/c16-11-6-8-12(9-7-11)20-15(22)19-10-4-2-1-3-5-13(17)14(18)21/h5-9H,1-4,10H2,(H2,18,21)(H2,19,20,22)/b13-5+
InChIKeyIJQAQOUHDWRXMG-WLRTZDKTSA-N
MW311.33 g/mol
LogP2.85
Rot. Bonds8

About (E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide

(E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide (PubChem CID 68876188) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is (E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide
PubChem CID68876188
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name(E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide
SMILESNC(=O)/C(F)=C\CCCCCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H19F2N3O2/c16-11-6-8-12(9-7-11)20-15(22)19-10-4-2-1-3-5-13(17)14(18)21/h5-9H,1-4,10H2,(H2,18,21)(H2,19,20,22)/b13-5+
InChIKeyIJQAQOUHDWRXMG-WLRTZDKTSA-N
XLogP2.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
2-fluoro-8-[[4-(trifluoromethyl)phenyl]carbamoylamino]oct-2-enoic acid
CID 68878653
1-(4-ethenylphenyl)-3-[6-[(4-ethenylphenyl)carbamoylamino]hexyl]urea
CID 11704173
ethyl (Z)-2-fluoro-8-[[4-(trifluoromethoxy)phenyl]carbamoylamino]oct-2-enoate;molecular hydrogen
CID 143831258
1-(4-fluorophenyl)-3-[12-[(4-fluorophenyl)carbamothioylamino]dodecyl]thiourea
CID 4549456
1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea
CID 2282649
1-[5,5-bis(4-fluorophenyl)pentyl]-3-(4-methylphenyl)urea
CID 159537469
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(4-fluorophenyl)urea
CID 51334001
5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide
CID 106238546
N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide
CID 108869282

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide?
The IUPAC name of (E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide (CID 68876188) is (E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide.
What is the SMILES notation for (E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide?
The canonical SMILES for (E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide is NC(=O)/C(F)=C\CCCCCNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of (E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide?
The InChIKey is IJQAQOUHDWRXMG-WLRTZDKTSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-11-6-8-12(9-7-11)20-15(22)19-10-4-2-1-3-5-13(17)14(18)21/h5-9H,1-4,10H2,(H2,18,21)(H2,19,20,22)/b13-5+.
What are the key properties of (E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide?
(E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide has a molecular weight of 311.33 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-8-[(4-fluorophenyl)carbamoylamino]oct-2-enamide is sourced from PubChem (CID 68876188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).