3-(4-chloro-1H-indazol-3-yl)benzamide

C14H10ClN3O — CID 118712907

IUPAC3-(4-chloro-1H-indazol-3-yl)benzamide
SMILESNC(=O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1
InChIInChI=1S/C14H10ClN3O/c15-10-5-2-6-11-12(10)13(18-17-11)8-3-1-4-9(7-8)14(16)19/h1-7H,(H2,16,19)(H,17,18)
InChIKeyZTCSCMJRLGYLPR-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.98
Rot. Bonds2

About 3-(4-chloro-1H-indazol-3-yl)benzamide

3-(4-chloro-1H-indazol-3-yl)benzamide (PubChem CID 118712907) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-(4-chloro-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(4-chloro-1H-indazol-3-yl)benzamide
PubChem CID118712907
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name3-(4-chloro-1H-indazol-3-yl)benzamide
SMILESNC(=O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1
InChIInChI=1S/C14H10ClN3O/c15-10-5-2-6-11-12(10)13(18-17-11)8-3-1-4-9(7-8)14(16)19/h1-7H,(H2,16,19)(H,17,18)
InChIKeyZTCSCMJRLGYLPR-UHFFFAOYSA-N
XLogP2.98
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol
CID 155410694
4-chloro-1H-indazole-3-carboxamide
CID 118798094
3-[3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]benzamide
CID 71448678
[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol
CID 155410592
3-[3-[(3,5-dichlorobenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
CID 58863539
3-(5-chloro-2-pyridinyl)benzamide
CID 91358917
3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide
CID 137010651
5-(3-carbamoylphenyl)-2-chlorobenzoic acid
CID 53226144
5-chloro-4-oxo-1H-cinnoline-3-carboxylic acid
CID 14532036
3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid
CID 39218620
(4-chloro-1H-indazol-3-yl) acetate
CID 70598926
3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219293

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-indazol-3-yl)benzamide?
The IUPAC name of 3-(4-chloro-1H-indazol-3-yl)benzamide (CID 118712907) is 3-(4-chloro-1H-indazol-3-yl)benzamide.
What is the SMILES notation for 3-(4-chloro-1H-indazol-3-yl)benzamide?
The canonical SMILES for 3-(4-chloro-1H-indazol-3-yl)benzamide is NC(=O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1.
What is the InChIKey of 3-(4-chloro-1H-indazol-3-yl)benzamide?
The InChIKey is ZTCSCMJRLGYLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-10-5-2-6-11-12(10)13(18-17-11)8-3-1-4-9(7-8)14(16)19/h1-7H,(H2,16,19)(H,17,18).
What are the key properties of 3-(4-chloro-1H-indazol-3-yl)benzamide?
3-(4-chloro-1H-indazol-3-yl)benzamide has a molecular weight of 271.71 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 118712907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).