(E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide

C19H18BrCl2NO — CID 53267823

IUPAC(E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C19H18BrCl2NO/c1-2-3-4-13-5-9-18(16(20)11-13)23-19(24)10-7-14-6-8-15(21)12-17(14)22/h5-12H,2-4H2,1H3,(H,23,24)/b10-7+
InChIKeyXSEHUYIHQQFNRJ-JXMROGBWSA-N
MW427.17 g/mol
LogP6.75
Rot. Bonds6

About (E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide

(E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 53267823) has the molecular formula C19H18BrCl2NO and a molecular weight of 427.17 g/mol. Its IUPAC name is (E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID53267823
Molecular FormulaC19H18BrCl2NO
Molecular Weight427.17 g/mol
Exact Mass424.99
IUPAC Name(E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C19H18BrCl2NO/c1-2-3-4-13-5-9-18(16(20)11-13)23-19(24)10-7-14-6-8-15(21)12-17(14)22/h5-12H,2-4H2,1H3,(H,23,24)/b10-7+
InChIKeyXSEHUYIHQQFNRJ-JXMROGBWSA-N
XLogP6.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.17
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 53267822
(E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 53267730
(E)-N-(4-bromo-2-methylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1325728
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178
(E)-3-(2,4-dichlorophenyl)-N-[4-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-3-methylphenyl]-2-methylphenyl]prop-2-enamide
CID 6015566
(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 28867729
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931
N-[4-chloro-3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
CID 4509014
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
(E)-N-(2-bromo-4-chlorophenyl)but-2-enamide
CID 81027410

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (CID 53267823) is (E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is CCCCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(Br)c1.
What is the InChIKey of (E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is XSEHUYIHQQFNRJ-JXMROGBWSA-N. The full InChI is InChI=1S/C19H18BrCl2NO/c1-2-3-4-13-5-9-18(16(20)11-13)23-19(24)10-7-14-6-8-15(21)12-17(14)22/h5-12H,2-4H2,1H3,(H,23,24)/b10-7+.
What are the key properties of (E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 427.17 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 53267823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).