3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide

C12H11Cl2NO — CID 2933752

IUPAC3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2NO/c1-2-7-15-12(16)6-4-9-3-5-10(13)11(14)8-9/h2-6,8H,1,7H2,(H,15,16)
InChIKeyUUVYTJHNRXQFOC-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.31
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide

3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide (PubChem CID 2933752) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
PubChem CID2933752
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2NO/c1-2-7-15-12(16)6-4-9-3-5-10(13)11(14)8-9/h2-6,8H,1,7H2,(H,15,16)
InChIKeyUUVYTJHNRXQFOC-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-amino-4-chlorophenyl)-N-prop-2-enylprop-2-enamide
CID 82044274
(E)-3-(3-amino-4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 39244291
(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43417822
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 6143200
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119
(E)-3-(3,4-dichlorophenyl)-N-[2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6176554
3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77022002
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 895970

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide (CID 2933752) is 3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)C=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is UUVYTJHNRXQFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-2-7-15-12(16)6-4-9-3-5-10(13)11(14)8-9/h2-6,8H,1,7H2,(H,15,16).
What are the key properties of 3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide?
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 256.13 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 2933752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).