N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide

C20H14FN3O4 — CID 55713791

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H14FN3O4/c21-15-4-9-18(10-5-15)28-20-12-6-16(13-22-20)23-19(25)11-3-14-1-7-17(8-2-14)24(26)27/h1-13H,(H,23,25)
InChIKeySSHISLYRKVRBOY-UHFFFAOYSA-N
MW379.35 g/mol
LogP4.57
Rot. Bonds6

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 55713791) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID55713791
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C20H14FN3O4/c21-15-4-9-18(10-5-15)28-20-12-6-16(13-22-20)23-19(25)11-3-14-1-7-17(8-2-14)24(26)27/h1-13H,(H,23,25)
InChIKeySSHISLYRKVRBOY-UHFFFAOYSA-N
XLogP4.57
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 26515812
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
3-(4-nitrophenyl)-N-[4-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 5115471
(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 103789272
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 47051327
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186952
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 21287966
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430
(E)-3-(4-fluorophenyl)-N-[2-(4-nitroanilino)ethyl]prop-2-enamide
CID 9308502

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide (CID 55713791) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide is O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is SSHISLYRKVRBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c21-15-4-9-18(10-5-15)28-20-12-6-16(13-22-20)23-19(25)11-3-14-1-7-17(8-2-14)24(26)27/h1-13H,(H,23,25).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 379.35 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 55713791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).