N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide

C22H18N2O2 — CID 127047187

IUPACN-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(C(O)c2ccccc2)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H18N2O2/c25-21(15-7-2-1-3-8-15)17-10-6-11-18(13-17)23-22(26)20-14-16-9-4-5-12-19(16)24-20/h1-14,21,24-25H,(H,23,26)
InChIKeyRVYZYLPGEYDXNK-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.50
Rot. Bonds4

About N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide

N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 127047187) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide
PubChem CID127047187
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(C(O)c2ccccc2)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C22H18N2O2/c25-21(15-7-2-1-3-8-15)17-10-6-11-18(13-17)23-22(26)20-14-16-9-4-5-12-19(16)24-20/h1-14,21,24-25H,(H,23,26)
InChIKeyRVYZYLPGEYDXNK-UHFFFAOYSA-N
XLogP4.50
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide (CID 127047187) is N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide is O=C(Nc1cccc(C(O)c2ccccc2)c1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is RVYZYLPGEYDXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21(15-7-2-1-3-8-15)17-10-6-11-18(13-17)23-22(26)20-14-16-9-4-5-12-19(16)24-20/h1-14,21,24-25H,(H,23,26).
What are the key properties of N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide?
N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[hydroxy(phenyl)methyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 127047187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).