2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide

C19H18Cl2N2O2 — CID 60576616

IUPAC2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-2-10-22-19(25)16-8-7-15(12-17(16)21)23-18(24)9-6-13-4-3-5-14(20)11-13/h3-9,11-12H,2,10H2,1H3,(H,22,25)(H,23,24)/b9-6+
InChIKeyXQZBATUNGNXLHO-RMKNXTFCSA-N
MW377.27 g/mol
LogP4.79
Rot. Bonds6

About 2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide

2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide (PubChem CID 60576616) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide
PubChem CID60576616
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-2-10-22-19(25)16-8-7-15(12-17(16)21)23-18(24)9-6-13-4-3-5-14(20)11-13/h3-9,11-12H,2,10H2,1H3,(H,22,25)(H,23,24)/b9-6+
InChIKeyXQZBATUNGNXLHO-RMKNXTFCSA-N
XLogP4.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
2-chloro-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877500
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide
CID 47048971
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 42965044
N-butyl-3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 17197071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide (CID 60576616) is 2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide?
The InChIKey is XQZBATUNGNXLHO-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-2-10-22-19(25)16-8-7-15(12-17(16)21)23-18(24)9-6-13-4-3-5-14(20)11-13/h3-9,11-12H,2,10H2,1H3,(H,22,25)(H,23,24)/b9-6+.
What are the key properties of 2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide?
2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide has a molecular weight of 377.27 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 60576616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).