N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide

C14H11BrN2O3 — CID 2252967

IUPACN-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
SMILESNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2O3/c15-10-5-3-9(4-6-10)14(19)17-12(13(16)18)8-11-2-1-7-20-11/h1-8H,(H2,16,18)(H,17,19)/b12-8-
InChIKeyVGSLNIOWCXUSLA-WQLSENKSSA-N
MW335.16 g/mol
LogP2.30
Rot. Bonds4

About N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide

N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide (PubChem CID 2252967) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
PubChem CID2252967
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC NameN-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
SMILESNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2O3/c15-10-5-3-9(4-6-10)14(19)17-12(13(16)18)8-11-2-1-7-20-11/h1-8H,(H2,16,18)(H,17,19)/b12-8-
InChIKeyVGSLNIOWCXUSLA-WQLSENKSSA-N
XLogP2.30
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide
CID 2294220
N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2885104
methyl 4-[[2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 1352169
(1,3-dioxoisoindol-2-yl)methyl (Z)-2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoate
CID 25422301
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
(E)-2-[(4-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoic acid
CID 7137594
prop-2-enyl 3-(furan-2-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 2939714
methyl (E)-3-(furan-2-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
CID 10357490
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061
2-[[2-[(3-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]acetic acid
CID 3292544
4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3708482

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide?
The IUPAC name of N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide (CID 2252967) is N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide.
What is the SMILES notation for N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide?
The canonical SMILES for N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide is NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide?
The InChIKey is VGSLNIOWCXUSLA-WQLSENKSSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-10-5-3-9(4-6-10)14(19)17-12(13(16)18)8-11-2-1-7-20-11/h1-8H,(H2,16,18)(H,17,19)/b12-8-.
What are the key properties of N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide?
N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide has a molecular weight of 335.16 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide is sourced from PubChem (CID 2252967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).