N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide

C23H19ClN2O3 — CID 112521484

IUPACN-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)cc1Cl
InChIInChI=1S/C23H19ClN2O3/c1-28-22-10-8-17(12-19(22)24)25-23(27)21-11-16-7-9-18(13-20(16)26-21)29-14-15-5-3-2-4-6-15/h2-13,26H,14H2,1H3,(H,25,27)
InChIKeyNYMNBWBUONAMRC-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.66
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide (PubChem CID 112521484) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
PubChem CID112521484
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)cc1Cl
InChIInChI=1S/C23H19ClN2O3/c1-28-22-10-8-17(12-19(22)24)25-23(27)21-11-16-7-9-18(13-20(16)26-21)29-14-15-5-3-2-4-6-15/h2-13,26H,14H2,1H3,(H,25,27)
InChIKeyNYMNBWBUONAMRC-UHFFFAOYSA-N
XLogP5.66
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520492
2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54819265
N-(2,5-dimethylphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520813
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
N-(1H-imidazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112524377
methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate
CID 55912733
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
N-(3-chloro-4-methoxyphenyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925522
7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
CID 108791613
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529557
N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
CID 17134395
N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
CID 70214874

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide (CID 112521484) is N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide is COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide?
The InChIKey is NYMNBWBUONAMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-28-22-10-8-17(12-19(22)24)25-23(27)21-11-16-7-9-18(13-20(16)26-21)29-14-15-5-3-2-4-6-15/h2-13,26H,14H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 112521484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).