N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide

C18H17ClN2O — CID 112529597

IUPACN-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)NCCc3cccc(Cl)c3)cccc21
InChIInChI=1S/C18H17ClN2O/c1-21-11-9-15-16(6-3-7-17(15)21)18(22)20-10-8-13-4-2-5-14(19)12-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,22)
InChIKeyHMUGZOSPHHCMPJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.80
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide (PubChem CID 112529597) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide
PubChem CID112529597
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)NCCc3cccc(Cl)c3)cccc21
InChIInChI=1S/C18H17ClN2O/c1-21-11-9-15-16(6-3-7-17(15)21)18(22)20-10-8-13-4-2-5-14(19)12-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,22)
InChIKeyHMUGZOSPHHCMPJ-UHFFFAOYSA-N
XLogP3.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide
CID 71704096
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
CID 45490502
N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide
CID 39932239
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide
CID 112529084
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265
2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
CID 39730732
N-(5-chloro-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 112520804
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide (CID 112529597) is N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide is Cn1ccc2c(C(=O)NCCc3cccc(Cl)c3)cccc21.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide?
The InChIKey is HMUGZOSPHHCMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-21-11-9-15-16(6-3-7-17(15)21)18(22)20-10-8-13-4-2-5-14(19)12-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide is sourced from PubChem (CID 112529597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).