N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide

C24H21ClN2O2 — CID 3321068

IUPACN-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
SMILESCn1c(C(=O)NCCc2ccc(Cl)cc2)cc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C24H21ClN2O2/c1-27-22-12-11-21(29-20-5-3-2-4-6-20)15-18(22)16-23(27)24(28)26-14-13-17-7-9-19(25)10-8-17/h2-12,15-16H,13-14H2,1H3,(H,26,28)
InChIKeyJULGTTBIVUHLAA-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.60
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide (PubChem CID 3321068) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
PubChem CID3321068
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
SMILESCn1c(C(=O)NCCc2ccc(Cl)cc2)cc2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C24H21ClN2O2/c1-27-22-12-11-21(29-20-5-3-2-4-6-20)15-18(22)16-23(27)24(28)26-14-13-17-7-9-19(25)10-8-17/h2-12,15-16H,13-14H2,1H3,(H,26,28)
InChIKeyJULGTTBIVUHLAA-UHFFFAOYSA-N
XLogP5.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
CID 7276879
dimethyl-[2-[[1-methyl-5-(3-methylphenoxy)indole-2-carbonyl]amino]ethyl]azanium
CID 7346149
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenoxy)indole-2-carboxamide
CID 51362396
2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 72891753
N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691270
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]propanamide
CID 22953723
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
N-[2-(4-phenoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 142259175
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
CID 54796770

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide (CID 3321068) is N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide is Cn1c(C(=O)NCCc2ccc(Cl)cc2)cc2cc(Oc3ccccc3)ccc21.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide?
The InChIKey is JULGTTBIVUHLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-27-22-12-11-21(29-20-5-3-2-4-6-20)15-18(22)16-23(27)24(28)26-14-13-17-7-9-19(25)10-8-17/h2-12,15-16H,13-14H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide is sourced from PubChem (CID 3321068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).