N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide

C19H18Cl2N2O2 — CID 4238227

IUPACN-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-2-4-18(24)22-15-5-3-6-16(12-15)23-19(25)10-8-13-7-9-14(20)11-17(13)21/h3,5-12H,2,4H2,1H3,(H,22,24)(H,23,25)
InChIKeyCFXMNBCVIXOJSV-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.38
Rot. Bonds6

About N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide

N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide (PubChem CID 4238227) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
PubChem CID4238227
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC NameN-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-2-4-18(24)22-15-5-3-6-16(12-15)23-19(25)10-8-13-7-9-14(20)11-17(13)21/h3,5-12H,2,4H2,1H3,(H,22,24)(H,23,25)
InChIKeyCFXMNBCVIXOJSV-UHFFFAOYSA-N
XLogP5.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
N-[4-chloro-3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
CID 4509014
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727
3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 5139454
3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5185153
N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]phenyl]-2-methylpropanamide
CID 1333113
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275
(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
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide?
The IUPAC name of N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide (CID 4238227) is N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide.
What is the SMILES notation for N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide?
The canonical SMILES for N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide?
The InChIKey is CFXMNBCVIXOJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-2-4-18(24)22-15-5-3-6-16(12-15)23-19(25)10-8-13-7-9-14(20)11-17(13)21/h3,5-12H,2,4H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide?
N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide has a molecular weight of 377.27 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide is sourced from PubChem (CID 4238227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).