N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide

C19H18Cl2N2O2 — CID 68745214

IUPACN-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-23(2)12-19(25)22-16-5-3-4-14(10-16)18(24)9-7-13-6-8-15(20)11-17(13)21/h3-11H,12H2,1-2H3,(H,22,25)/b9-7+
InChIKeyFYKHLTYOLXPAMZ-VQHVLOKHSA-N
MW377.27 g/mol
LogP4.39
Rot. Bonds6

About N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide

N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide (PubChem CID 68745214) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide
PubChem CID68745214
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC NameN-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-23(2)12-19(25)22-16-5-3-4-14(10-16)18(24)9-7-13-6-8-15(20)11-17(13)21/h3-11H,12H2,1-2H3,(H,22,25)/b9-7+
InChIKeyFYKHLTYOLXPAMZ-VQHVLOKHSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,4-dichlorophenyl)-1-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-en-1-one
CID 10474707
3-(2,4-dichlorophenyl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]prop-2-en-1-one
CID 69216639
N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
CID 4238227
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 78541367
(E)-3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 7784056
(E)-1-[3-[bis(2-hydroxyethyl)amino]phenyl]-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 86578550
3-(2,4-dichlorophenyl)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-en-1-one
CID 68744508
2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide
CID 170896449
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
2-(dimethylamino)-N-[3-[3-[2-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)phenyl]prop-2-enoyl]phenyl]acetamide
CID 69218995

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide (CID 68745214) is N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide?
The InChIKey is FYKHLTYOLXPAMZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-23(2)12-19(25)22-16-5-3-4-14(10-16)18(24)9-7-13-6-8-15(20)11-17(13)21/h3-11H,12H2,1-2H3,(H,22,25)/b9-7+.
What are the key properties of N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide?
N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide has a molecular weight of 377.27 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 68745214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).