(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide

C12H11Cl2NO — CID 115636575

IUPAC(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
SMILESC=C(Cl)CNC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C12H11Cl2NO/c1-9(13)8-15-12(16)6-5-10-3-2-4-11(14)7-10/h2-7H,1,8H2,(H,15,16)/b6-5+
InChIKeyXEMDUMSPSACEIY-AATRIKPKSA-N
MW256.13 g/mol
LogP3.22
Rot. Bonds4

About (E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide (PubChem CID 115636575) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
PubChem CID115636575
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
SMILESC=C(Cl)CNC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C12H11Cl2NO/c1-9(13)8-15-12(16)6-5-10-3-2-4-11(14)7-10/h2-7H,1,8H2,(H,15,16)/b6-5+
InChIKeyXEMDUMSPSACEIY-AATRIKPKSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-bromophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636560
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoic acid
CID 74868291
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514
2-[2-[3-(3-chlorophenyl)prop-2-enoylamino]ethoxy]acetic acid
CID 79457995
3-(3-chlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77021946
3-(3-chlorophenyl)-N-[3-[4-[3-[3-(3-chlorophenyl)prop-2-enoylamino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 3586028
(E)-3-(3-chlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
CID 103771519
(E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 9482873
3-(3-chlorophenyl)-N-cyanoprop-2-enamide
CID 79195183
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide (CID 115636575) is (E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide is C=C(Cl)CNC(=O)/C=C/c1cccc(Cl)c1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide?
The InChIKey is XEMDUMSPSACEIY-AATRIKPKSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-9(13)8-15-12(16)6-5-10-3-2-4-11(14)7-10/h2-7H,1,8H2,(H,15,16)/b6-5+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide has a molecular weight of 256.13 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide is sourced from PubChem (CID 115636575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).