(E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide

C16H11Cl2N5O — CID 24555485

IUPAC(E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H11Cl2N5O/c17-12-6-11(7-13(18)8-12)4-5-16(24)20-14-2-1-3-15(9-14)23-10-19-21-22-23/h1-10H,(H,20,24)/b5-4+
InChIKeyCFXVGJBHUSIWGQ-SNAWJCMRSA-N
MW360.20 g/mol
LogP3.62
Rot. Bonds4

About (E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide

(E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide (PubChem CID 24555485) has the molecular formula C16H11Cl2N5O and a molecular weight of 360.20 g/mol. Its IUPAC name is (E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide
PubChem CID24555485
Molecular FormulaC16H11Cl2N5O
Molecular Weight360.20 g/mol
Exact Mass359.03
IUPAC Name(E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H11Cl2N5O/c17-12-6-11(7-13(18)8-12)4-5-16(24)20-14-2-1-3-15(9-14)23-10-19-21-22-23/h1-10H,(H,20,24)/b5-4+
InChIKeyCFXVGJBHUSIWGQ-SNAWJCMRSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide
CID 75533166
3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 24555546
(E)-3-[3-(tetrazol-1-yl)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 16652466
3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55992377
(E)-3-(4-methylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 17011477
(E)-3-(4-propan-2-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 26728883
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
(E)-3-(3-nitrophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 7930086

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide (CID 24555485) is (E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide is O=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of (E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is CFXVGJBHUSIWGQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H11Cl2N5O/c17-12-6-11(7-13(18)8-12)4-5-16(24)20-14-2-1-3-15(9-14)23-10-19-21-22-23/h1-10H,(H,20,24)/b5-4+.
What are the key properties of (E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide?
(E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 360.20 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 24555485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).