(Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide

C16H13BrFNO2 — CID 56968638

IUPAC(Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H13BrFNO2/c1-21-15(10-11-2-4-12(17)5-3-11)16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20)/b15-10-
InChIKeyNYMKJRDVNUGPPL-GDNBJRDFSA-N
MW350.19 g/mol
LogP4.21
Rot. Bonds4

About (Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide

(Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide (PubChem CID 56968638) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide
PubChem CID56968638
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC Name(Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H13BrFNO2/c1-21-15(10-11-2-4-12(17)5-3-11)16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20)/b15-10-
InChIKeyNYMKJRDVNUGPPL-GDNBJRDFSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
CID 56968407
(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
CID 56968849
N-[1-(4-bromophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 5078924
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide
CID 87895075
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 94851228
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647
N-(4-bromophenyl)-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832756
2-bromo-N-(4-bromophenyl)but-2-enamide
CID 54554257
methyl (E)-3-(4-bromophenyl)-2-methylprop-2-enoate
CID 16664756
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide?
The IUPAC name of (Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide (CID 56968638) is (Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide?
The canonical SMILES for (Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide is CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide?
The InChIKey is NYMKJRDVNUGPPL-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c1-21-15(10-11-2-4-12(17)5-3-11)16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20)/b15-10-.
What are the key properties of (Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide?
(Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide has a molecular weight of 350.19 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide is sourced from PubChem (CID 56968638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).