N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide

C16H12ClN3O — CID 174050809

IUPACN-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2cn[nH]c2c1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O/c17-13-2-1-3-14(9-13)19-16(21)7-5-11-4-6-12-10-18-20-15(12)8-11/h1-10H,(H,18,20)(H,19,21)
InChIKeyNJCBMLWDHJFVHO-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.87
Rot. Bonds3

About N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide

N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide (PubChem CID 174050809) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide
PubChem CID174050809
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2cn[nH]c2c1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O/c17-13-2-1-3-14(9-13)19-16(21)7-5-11-4-6-12-10-18-20-15(12)8-11/h1-10H,(H,18,20)(H,19,21)
InChIKeyNJCBMLWDHJFVHO-UHFFFAOYSA-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-(3-aminophenyl)-N-(1H-indazol-6-yl)prop-2-enamide
CID 115343106
(E)-N-(2,6-dimethylphenyl)-3-(1H-indazol-6-yl)prop-2-enamide
CID 168865120
(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 17164818
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 67337824
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
(E)-3-(4-aminophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 115343051
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
methyl 4-[(E)-3-(3-chloroanilino)-3-oxoprop-1-enyl]benzoate
CID 40632540

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide (CID 174050809) is N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide is O=C(C=Cc1ccc2cn[nH]c2c1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide?
The InChIKey is NJCBMLWDHJFVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-2-1-3-14(9-13)19-16(21)7-5-11-4-6-12-10-18-20-15(12)8-11/h1-10H,(H,18,20)(H,19,21).
What are the key properties of N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide?
N-(3-chlorophenyl)-3-(1H-indazol-6-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 N-(3-chlorophenyl)-3-(1H-indazol-6-yl)prop-2-enamide is sourced from PubChem (CID 174050809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).