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

C19H14BrClN2O2 — CID 100828747

IUPAC(E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(Br)c1
InChIInChI=1S/C19H14BrClN2O2/c20-15-11-12(22)5-8-17(15)23-19(24)10-7-13-6-9-18(25-13)14-3-1-2-4-16(14)21/h1-11H,22H2,(H,23,24)/b10-7+
InChIKeyHWFPPMPUFZWNET-JXMROGBWSA-N
MW417.69 g/mol
LogP5.60
Rot. Bonds4

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

(E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 100828747) has the molecular formula C19H14BrClN2O2 and a molecular weight of 417.69 g/mol. Its IUPAC name is (E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID100828747
Molecular FormulaC19H14BrClN2O2
Molecular Weight417.69 g/mol
Exact Mass415.99
IUPAC Name(E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(Br)c1
InChIInChI=1S/C19H14BrClN2O2/c20-15-11-12(22)5-8-17(15)23-19(24)10-7-13-6-9-18(25-13)14-3-1-2-4-16(14)21/h1-11H,22H2,(H,23,24)/b10-7+
InChIKeyHWFPPMPUFZWNET-JXMROGBWSA-N
XLogP5.60
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.69
LogP ≤ 55.60
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'}

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Related Compounds

(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 100828766
(E)-N-(4-amino-2-bromophenyl)-3-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]prop-2-enamide
CID 100828804
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide
CID 45051055
(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828764
3-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylbenzoic acid
CID 28686356
(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780629
3-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686358
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672
(E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
CID 45051020
(E)-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17111307
(E)-N-(4-aminophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 100828816
(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828761

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide (CID 100828747) is (E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide is Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(Br)c1.
What is the InChIKey of (E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is HWFPPMPUFZWNET-JXMROGBWSA-N. The full InChI is InChI=1S/C19H14BrClN2O2/c20-15-11-12(22)5-8-17(15)23-19(24)10-7-13-6-9-18(25-13)14-3-1-2-4-16(14)21/h1-11H,22H2,(H,23,24)/b10-7+.
What are the key properties of (E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
(E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 417.69 g/mol, XLogP of 5.60, 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-(2-chlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 100828747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).