3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide

C13H8BrF2NOS — CID 68711741

IUPAC3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1cc(Br)cs1)Nc1cccc(F)c1F
InChIInChI=1S/C13H8BrF2NOS/c14-8-6-9(19-7-8)4-5-12(18)17-11-3-1-2-10(15)13(11)16/h1-7H,(H,17,18)
InChIKeyNURABCVBDHVEBY-UHFFFAOYSA-N
MW344.18 g/mol
LogP4.44
Rot. Bonds3

About 3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide

3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide (PubChem CID 68711741) has the molecular formula C13H8BrF2NOS and a molecular weight of 344.18 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide
PubChem CID68711741
Molecular FormulaC13H8BrF2NOS
Molecular Weight344.18 g/mol
Exact Mass342.95
IUPAC Name3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1cc(Br)cs1)Nc1cccc(F)c1F
InChIInChI=1S/C13H8BrF2NOS/c14-8-6-9(19-7-8)4-5-12(18)17-11-3-1-2-10(15)13(11)16/h1-7H,(H,17,18)
InChIKeyNURABCVBDHVEBY-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2,3-difluorophenyl)-3-(4-pyridin-4-ylthiophen-2-yl)prop-2-enamide
CID 68712023
(E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide
CID 59149613
(Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 68715960
(E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 60596805
(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide
CID 87601247
3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 71870762
(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 26358362
3-(4-bromothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 76617068
2-fluoro-6-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 43442781
3-[4-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79683843
(E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(2-fluorophenyl)prop-2-enamide
CID 7911703
(E)-3-(4-bromothiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 75407879

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide?
The IUPAC name of 3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide (CID 68711741) is 3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide is O=C(C=Cc1cc(Br)cs1)Nc1cccc(F)c1F.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide?
The InChIKey is NURABCVBDHVEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NOS/c14-8-6-9(19-7-8)4-5-12(18)17-11-3-1-2-10(15)13(11)16/h1-7H,(H,17,18).
What are the key properties of 3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide?
3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide has a molecular weight of 344.18 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide is sourced from PubChem (CID 68711741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).