N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide

C16H12ClF2N3O2 — CID 78859177

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2c1
InChIInChI=1S/C16H12ClF2N3O2/c1-8-2-4-12-10(6-8)14(22-21-12)15(23)20-9-3-5-13(11(17)7-9)24-16(18)19/h2-7,16H,1H3,(H,20,23)(H,21,22)
InChIKeyPLMZTYBRKFHPKJ-UHFFFAOYSA-N
MW351.74 g/mol
LogP4.38
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78859177) has the molecular formula C16H12ClF2N3O2 and a molecular weight of 351.74 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78859177
Molecular FormulaC16H12ClF2N3O2
Molecular Weight351.74 g/mol
Exact Mass351.06
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2c1
InChIInChI=1S/C16H12ClF2N3O2/c1-8-2-4-12-10(6-8)14(22-21-12)15(23)20-9-3-5-13(11(17)7-9)24-16(18)19/h2-7,16H,1H3,(H,20,23)(H,21,22)
InChIKeyPLMZTYBRKFHPKJ-UHFFFAOYSA-N
XLogP4.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510356
5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794200
5-methyl-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 29107106
5-methyl-N-[3-(propan-2-yloxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 86846212
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7942994
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide
CID 78865849
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514246
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 37040206
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)thiourea
CID 17298126
N-[6-(dimethylamino)-3-pyridinyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859198

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide (CID 78859177) is N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is PLMZTYBRKFHPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2/c1-8-2-4-12-10(6-8)14(22-21-12)15(23)20-9-3-5-13(11(17)7-9)24-16(18)19/h2-7,16H,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 351.74 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78859177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).