N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide

C23H19ClN2O2 — CID 112521847

IUPACN-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)14-25-23(27)22-12-18-8-11-20(13-21(18)26-22)28-15-17-4-2-1-3-5-17/h1-13,26H,14-15H2,(H,25,27)
InChIKeyKGKCNRGCURSUDJ-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.33
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide

N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide (PubChem CID 112521847) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
PubChem CID112521847
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC NameN-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)14-25-23(27)22-12-18-8-11-20(13-21(18)26-22)28-15-17-4-2-1-3-5-17/h1-13,26H,14-15H2,(H,25,27)
InChIKeyKGKCNRGCURSUDJ-UHFFFAOYSA-N
XLogP5.33
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529557
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 112522105
N-(1H-imidazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112524377
N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521484
N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
CID 70214874
N-[4-(dimethylamino)phenyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520492
N-(2,5-dimethylphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520813
N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112528171
5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 142237610
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide (CID 112521847) is N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc2ccc(OCc3ccccc3)cc2[nH]1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide?
The InChIKey is KGKCNRGCURSUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)14-25-23(27)22-12-18-8-11-20(13-21(18)26-22)28-15-17-4-2-1-3-5-17/h1-13,26H,14-15H2,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide?
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 112521847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).