N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide

C22H18N4O2 — CID 47036742

IUPACN-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc(CNC(=O)c2cccc3cn[nH]c23)c1
InChIInChI=1S/C22H18N4O2/c27-21(25-18-9-2-1-3-10-18)16-7-4-6-15(12-16)13-23-22(28)19-11-5-8-17-14-24-26-20(17)19/h1-12,14H,13H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyAVMYQNKCRLRHHZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.75
Rot. Bonds5

About N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide

N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide (PubChem CID 47036742) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide
PubChem CID47036742
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc(CNC(=O)c2cccc3cn[nH]c23)c1
InChIInChI=1S/C22H18N4O2/c27-21(25-18-9-2-1-3-10-18)16-7-4-6-15(12-16)13-23-22(28)19-11-5-8-17-14-24-26-20(17)19/h1-12,14H,13H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyAVMYQNKCRLRHHZ-UHFFFAOYSA-N
XLogP3.75
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1H-indazole-7-carboxamide
CID 46551555
N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide
CID 43052510
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
N-[2-(3-ethylanilino)-2-oxoethyl]-1H-indazole-7-carboxamide
CID 75418768
N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057730
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 43048623
N-(3,4-dichlorophenyl)-1H-indazole-7-carboxamide
CID 43048604
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-(1H-indazol-7-yl)-3-phenylmethoxybenzamide
CID 34150556
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 46576739
N-[3-(1H-indazol-7-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46411479
(E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid
CID 84583335

Frequently Asked Questions

What is the IUPAC name of N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide (CID 47036742) is N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide is O=C(Nc1ccccc1)c1cccc(CNC(=O)c2cccc3cn[nH]c23)c1.
What is the InChIKey of N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide?
The InChIKey is AVMYQNKCRLRHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-21(25-18-9-2-1-3-10-18)16-7-4-6-15(12-16)13-23-22(28)19-11-5-8-17-14-24-26-20(17)19/h1-12,14H,13H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide?
N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 47036742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).