(E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate

C18H15Cl2N2O3- — CID 6985024

IUPAC(E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate
SMILESCN(C)c1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2Cl)C(=O)[O-])cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-22(2)13-6-3-11(4-7-13)9-16(18(24)25)21-17(23)14-8-5-12(19)10-15(14)20/h3-10H,1-2H3,(H,21,23)(H,24,25)/p-1/b16-9+
InChIKeyKWOGVNJDORJLAR-CXUHLZMHSA-M
MW378.24 g/mol
LogP2.58
Rot. Bonds5

About (E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate

(E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate (PubChem CID 6985024) has the molecular formula C18H15Cl2N2O3- and a molecular weight of 378.24 g/mol. Its IUPAC name is (E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Name(E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate
PubChem CID6985024
Molecular FormulaC18H15Cl2N2O3-
Molecular Weight378.24 g/mol
Exact Mass377.05
IUPAC Name(E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate
SMILESCN(C)c1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2Cl)C(=O)[O-])cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-22(2)13-6-3-11(4-7-13)9-16(18(24)25)21-17(23)14-8-5-12(19)10-15(14)20/h3-10H,1-2H3,(H,21,23)(H,24,25)/p-1/b16-9+
InChIKeyKWOGVNJDORJLAR-CXUHLZMHSA-M
XLogP2.58
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[(Z)-1-(4-chlorophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 27396130
2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 3855637
(E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate
CID 2190329
2-bromo-N-[(E)-3-(2,4-dichloroanilino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 46496652
2,4-dichloro-N-[1-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3483697
(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 6014545
(E)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 2059163
methyl (E)-2-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 10522438
2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 20834599
N-[(E)-3-(azepan-1-yl)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 7460248
N-[(Z)-3-(4-chloroanilino)-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 2193641
(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate
CID 7481722

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate?
The IUPAC name of (E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate (CID 6985024) is (E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate.
What is the SMILES notation for (E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate?
The canonical SMILES for (E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate is CN(C)c1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2Cl)C(=O)[O-])cc1.
What is the InChIKey of (E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate?
The InChIKey is KWOGVNJDORJLAR-CXUHLZMHSA-M. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-22(2)13-6-3-11(4-7-13)9-16(18(24)25)21-17(23)14-8-5-12(19)10-15(14)20/h3-10H,1-2H3,(H,21,23)(H,24,25)/p-1/b16-9+.
What are the key properties of (E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate?
(E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate has a molecular weight of 378.24 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 6985024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).