3,4-dichloro-N-(1H-indazol-5-yl)benzamide

C14H9Cl2N3O — CID 17163667

IUPAC3,4-dichloro-N-(1H-indazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
InChIKeyBJQHXAMROLGKSV-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.12
Rot. Bonds2

About 3,4-dichloro-N-(1H-indazol-5-yl)benzamide

3,4-dichloro-N-(1H-indazol-5-yl)benzamide (PubChem CID 17163667) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 3,4-dichloro-N-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1H-indazol-5-yl)benzamide
PubChem CID17163667
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name3,4-dichloro-N-(1H-indazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
InChIKeyBJQHXAMROLGKSV-UHFFFAOYSA-N
XLogP4.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844663
4-(3,4-dichlorophenyl)-N-1H-indazol-5-yl-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxamide
CID 11247002
N-(3,5-dichlorophenyl)-1H-indazole-5-carboxamide
CID 77844662
N-(3,4-dichlorophenyl)-1H-indazole-5-carboxamide
CID 77844601
N-(4-chloro-3-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844664
N-(1H-indazol-5-yl)benzamide
CID 2389948
2-chloro-N-(1H-indazol-5-yl)benzamide
CID 4448318
3-fluoro-N-(1H-indazol-5-yl)benzamide
CID 6466450
4-fluoro-N-(1H-indazol-5-yl)benzamide
CID 17148682
N-(1H-indazol-5-yl)-2-phenylacetamide
CID 4412719
1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-(4-chlorophenyl)ethanone
CID 16662100
1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino-2-(3-chlorophenyl)ethanone
CID 16662116

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1H-indazol-5-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(1H-indazol-5-yl)benzamide (CID 17163667) is 3,4-dichloro-N-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(1H-indazol-5-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(1H-indazol-5-yl)benzamide is O=C(Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1H-indazol-5-yl)benzamide?
The InChIKey is BJQHXAMROLGKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-11-3-1-8(6-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20).
What are the key properties of 3,4-dichloro-N-(1H-indazol-5-yl)benzamide?
3,4-dichloro-N-(1H-indazol-5-yl)benzamide has a molecular weight of 306.15 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 17163667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).