(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide

C16H12ClN3O — CID 17164818

IUPAC(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H12ClN3O/c17-13-4-1-11(2-5-13)3-8-16(21)19-14-6-7-15-12(9-14)10-18-20-15/h1-10H,(H,18,20)(H,19,21)/b8-3+
InChIKeyBGCRLCFSZKWSTR-FPYGCLRLSA-N
MW297.75 g/mol
LogP3.87
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide (PubChem CID 17164818) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
PubChem CID17164818
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H12ClN3O/c17-13-4-1-11(2-5-13)3-8-16(21)19-14-6-7-15-12(9-14)10-18-20-15/h1-10H,(H,18,20)(H,19,21)/b8-3+
InChIKeyBGCRLCFSZKWSTR-FPYGCLRLSA-N
XLogP3.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.87
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

(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 115343051
N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide
CID 174050809
5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 54777513
(E)-3-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide
CID 115343106
(E)-3-(4-chlorophenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 7925553
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide (CID 17164818) is (E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
The InChIKey is BGCRLCFSZKWSTR-FPYGCLRLSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-4-1-11(2-5-13)3-8-16(21)19-14-6-7-15-12(9-14)10-18-20-15/h1-10H,(H,18,20)(H,19,21)/b8-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide has a molecular weight of 297.75 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide is sourced from PubChem (CID 17164818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).