(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate

C14H9BrNO4- — CID 7375615

IUPAC(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate
SMILESO=C([O-])/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H10BrNO4/c15-12-7-6-11(20-12)13(17)16-10(14(18)19)8-9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19)/p-1/b10-8+
InChIKeyIYTYESIAKCAKHZ-CSKARUKUSA-M
MW335.13 g/mol
LogP1.56
Rot. Bonds4

About (E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate

(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate (PubChem CID 7375615) has the molecular formula C14H9BrNO4- and a molecular weight of 335.13 g/mol. Its IUPAC name is (E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate
PubChem CID7375615
Molecular FormulaC14H9BrNO4-
Molecular Weight335.13 g/mol
Exact Mass333.97
IUPAC Name(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate
SMILESO=C([O-])/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H10BrNO4/c15-12-7-6-11(20-12)13(17)16-10(14(18)19)8-9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19)/p-1/b10-8+
InChIKeyIYTYESIAKCAKHZ-CSKARUKUSA-M
XLogP1.56
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(naphthalen-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 3126160
2-[(5-bromofuran-2-carbonyl)amino]-5-phenylpenta-2,4-dienoic acid
CID 1293136
(2S)-2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]-4-methylsulfanylbutanoic acid
CID 2291926
2-[[2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 2932896
methyl 2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoate
CID 1312716
N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide
CID 1313005
(2R)-2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 40879367
N-[3-anilino-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-5-bromofuran-2-carboxamide
CID 1099847
5-bromo-N-[3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 3913152
(2S)-2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 27543501
5-bromo-N-[3-(ethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 4608488
3-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 2270711

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate?
The IUPAC name of (E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate (CID 7375615) is (E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate.
What is the SMILES notation for (E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate?
The canonical SMILES for (E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate is O=C([O-])/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1.
What is the InChIKey of (E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate?
The InChIKey is IYTYESIAKCAKHZ-CSKARUKUSA-M. The full InChI is InChI=1S/C14H10BrNO4/c15-12-7-6-11(20-12)13(17)16-10(14(18)19)8-9-4-2-1-3-5-9/h1-8H,(H,16,17)(H,18,19)/p-1/b10-8+.
What are the key properties of (E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate?
(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate has a molecular weight of 335.13 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate is sourced from PubChem (CID 7375615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).