3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide

C16H12ClF2N3O2 — CID 137453603

IUPAC3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cccc2[nH]ncc12)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C16H12ClF2N3O2/c17-12-6-9(4-5-14(12)24-16(18)19)15(23)20-7-10-2-1-3-13-11(10)8-21-22-13/h1-6,8,16H,7H2,(H,20,23)(H,21,22)
InChIKeyROECTGVCAIWDNY-UHFFFAOYSA-N
MW351.74 g/mol
LogP3.75
Rot. Bonds5

About 3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide

3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide (PubChem CID 137453603) has the molecular formula C16H12ClF2N3O2 and a molecular weight of 351.74 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide
PubChem CID137453603
Molecular FormulaC16H12ClF2N3O2
Molecular Weight351.74 g/mol
Exact Mass351.06
IUPAC Name3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cccc2[nH]ncc12)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C16H12ClF2N3O2/c17-12-6-9(4-5-14(12)24-16(18)19)15(23)20-7-10-2-1-3-13-11(10)8-21-22-13/h1-6,8,16H,7H2,(H,20,23)(H,21,22)
InChIKeyROECTGVCAIWDNY-UHFFFAOYSA-N
XLogP3.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1H-indazole-6-carboxamide
CID 60715244
N-(4-chloro-3-methoxyphenyl)-1H-indazole-6-carboxamide
CID 107271816
US20260070901, Example 166
CID 171066182
US20260085062, Example 170
CID 171067495
US20260085062, Example 159
CID 171067510
US20260085062, Example 157
CID 171067665
US20260085062, Example 31
CID 171067680
US20260085062, Example 168
CID 171067717
3-((3-Chloro-4-(trifluoromethoxy) benzyl)amino)-
CID 171067874
US20260085062, Example 163
CID 171067988
N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazole-5-carboxamide
CID 18447416
4-[2-[3-[[2-[3-chloro-4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide
CID 58451567

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide (CID 137453603) is 3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide is O=C(NCc1cccc2[nH]ncc12)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide?
The InChIKey is ROECTGVCAIWDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2/c17-12-6-9(4-5-14(12)24-16(18)19)15(23)20-7-10-2-1-3-13-11(10)8-21-22-13/h1-6,8,16H,7H2,(H,20,23)(H,21,22).
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide?
3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide has a molecular weight of 351.74 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-(1H-indazol-4-ylmethyl)benzamide is sourced from PubChem (CID 137453603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).