4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide

C19H18Cl2N2O2 — CID 134052074

IUPAC4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H18Cl2N2O2/c1-23(2)19(25)15-7-3-14(4-8-15)12-22-18(24)10-6-13-5-9-16(20)17(21)11-13/h3-11H,12H2,1-2H3,(H,22,24)/b10-6+
InChIKeyUIAFWSZEJJLNDT-UXBLZVDNSA-N
MW377.27 g/mol
LogP4.02
Rot. Bonds5

About 4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide

4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 134052074) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID134052074
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H18Cl2N2O2/c1-23(2)19(25)15-7-3-14(4-8-15)12-22-18(24)10-6-13-5-9-16(20)17(21)11-13/h3-11H,12H2,1-2H3,(H,22,24)/b10-6+
InChIKeyUIAFWSZEJJLNDT-UXBLZVDNSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
methyl 4-[(E)-3-[[4-(dimethylcarbamoyl)phenyl]methylamino]-3-oxoprop-1-enyl]benzoate
CID 134052075
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
4-[[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
CID 46541711
4-[[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
CID 134052092
3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 29331413
N-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 5049384
[4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-methyl-(oxan-4-yl)azanium
CID 143173977
(E)-3-(3,4-dichlorophenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]prop-2-enamide
CID 108761232
4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-N,N-diethylbenzamide
CID 8503699
[4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
CID 25267736
methyl 4-[[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]methyl]benzoate
CID 38018241

Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide (CID 134052074) is 4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is UIAFWSZEJJLNDT-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-23(2)19(25)15-7-3-14(4-8-15)12-22-18(24)10-6-13-5-9-16(20)17(21)11-13/h3-11H,12H2,1-2H3,(H,22,24)/b10-6+.
What are the key properties of 4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 377.27 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 134052074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).