N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide

C24H21ClN2O2 — CID 112529557

IUPACN-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C24H21ClN2O2/c25-20-8-4-7-17(13-20)11-12-26-24(28)23-14-19-9-10-21(15-22(19)27-23)29-16-18-5-2-1-3-6-18/h1-10,13-15,27H,11-12,16H2,(H,26,28)
InChIKeyWYDQSSSEAGSLBW-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.37
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide (PubChem CID 112529557) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
PubChem CID112529557
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C24H21ClN2O2/c25-20-8-4-7-17(13-20)11-12-26-24(28)23-14-19-9-10-21(15-22(19)27-23)29-16-18-5-2-1-3-6-18/h1-10,13-15,27H,11-12,16H2,(H,26,28)
InChIKeyWYDQSSSEAGSLBW-UHFFFAOYSA-N
XLogP5.37
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.37
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-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
N-(2,5-dimethylphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520813
6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 112522105
N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
CID 70214874
N-(1H-imidazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112524377
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521484
N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112528171
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207545

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide (CID 112529557) is N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cc2ccc(OCc3ccccc3)cc2[nH]1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide?
The InChIKey is WYDQSSSEAGSLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c25-20-8-4-7-17(13-20)11-12-26-24(28)23-14-19-9-10-21(15-22(19)27-23)29-16-18-5-2-1-3-6-18/h1-10,13-15,27H,11-12,16H2,(H,26,28).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 112529557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).