N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide

C20H14ClN3O — CID 162666626

IUPACN-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccccc3)c2c1
InChIInChI=1S/C20H14ClN3O/c21-15-7-4-8-16(12-15)22-20(25)14-9-10-18-17(11-14)19(24-23-18)13-5-2-1-3-6-13/h1-12H,(H,22,25)(H,23,24)
InChIKeyHAGHYMLQCAFWAL-UHFFFAOYSA-N
MW347.81 g/mol
LogP5.14
Rot. Bonds3

About N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide

N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide (PubChem CID 162666626) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
PubChem CID162666626
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC NameN-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccccc3)c2c1
InChIInChI=1S/C20H14ClN3O/c21-15-7-4-8-16(12-15)22-20(25)14-9-10-18-17(11-14)19(24-23-18)13-5-2-1-3-6-13/h1-12H,(H,22,25)(H,23,24)
InChIKeyHAGHYMLQCAFWAL-UHFFFAOYSA-N
XLogP5.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.81
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(3,5-dichlorobenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
CID 58863539
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
CID 142112726
4-(1H-indazol-3-yl)-N-phenylbenzamide
CID 146637903
N-[1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127045929
3-benzamido-N-(3-hydroxyphenyl)-1H-indazole-5-carboxamide
CID 142752240
4-N-(3-pyridin-3-yl-1H-indazol-5-yl)benzene-1,4-dicarboxamide
CID 170562682
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
CID 11176634
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide (CID 162666626) is N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccccc3)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide?
The InChIKey is HAGHYMLQCAFWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-15-7-4-8-16(12-15)22-20(25)14-9-10-18-17(11-14)19(24-23-18)13-5-2-1-3-6-13/h1-12H,(H,22,25)(H,23,24).
What are the key properties of N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide?
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 5.14, 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-phenyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 162666626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).