(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide

C19H14BrFN2O2 — CID 100828766

IUPAC(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c(Br)c1
InChIInChI=1S/C19H14BrFN2O2/c20-16-11-14(22)5-8-17(16)23-19(24)10-7-15-6-9-18(25-15)12-1-3-13(21)4-2-12/h1-11H,22H2,(H,23,24)/b10-7+
InChIKeyNAGDOCYBNFGACY-JXMROGBWSA-N
MW401.24 g/mol
LogP5.08
Rot. Bonds4

About (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide

(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 100828766) has the molecular formula C19H14BrFN2O2 and a molecular weight of 401.24 g/mol. Its IUPAC name is (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
PubChem CID100828766
Molecular FormulaC19H14BrFN2O2
Molecular Weight401.24 g/mol
Exact Mass400.02
IUPAC Name(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c(Br)c1
InChIInChI=1S/C19H14BrFN2O2/c20-16-11-14(22)5-8-17(16)23-19(24)10-7-15-6-9-18(25-15)12-1-3-13(21)4-2-12/h1-11H,22H2,(H,23,24)/b10-7+
InChIKeyNAGDOCYBNFGACY-JXMROGBWSA-N
XLogP5.08
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.24
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-amino-2-bromophenyl)-3-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]prop-2-enamide
CID 100828804
(E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828747
(E)-N-(2-bromo-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47249112
(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828764
(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780629
(E)-3-(3-aminophenyl)-N-(2-bromo-4-fluorophenyl)prop-2-enamide
CID 115342735
4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid
CID 28678237
(E)-N-(4-aminophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 100828816
(E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 28689023
(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 1352340
(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828761
(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 100829899

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide (CID 100828766) is (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide is Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c(Br)c1.
What is the InChIKey of (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is NAGDOCYBNFGACY-JXMROGBWSA-N. The full InChI is InChI=1S/C19H14BrFN2O2/c20-16-11-14(22)5-8-17(16)23-19(24)10-7-15-6-9-18(25-15)12-1-3-13(21)4-2-12/h1-11H,22H2,(H,23,24)/b10-7+.
What are the key properties of (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide?
(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 401.24 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 100828766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).