N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide

C18H17ClN2O — CID 112529084

IUPACN-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide
SMILESCn1ccc2cccc(C(=O)NCCc3ccc(Cl)cc3)c21
InChIInChI=1S/C18H17ClN2O/c1-21-12-10-14-3-2-4-16(17(14)21)18(22)20-11-9-13-5-7-15(19)8-6-13/h2-8,10,12H,9,11H2,1H3,(H,20,22)
InChIKeyRCDSCSBQVJZNBK-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.80
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide (PubChem CID 112529084) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide
PubChem CID112529084
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide
SMILESCn1ccc2cccc(C(=O)NCCc3ccc(Cl)cc3)c21
InChIInChI=1S/C18H17ClN2O/c1-21-12-10-14-3-2-4-16(17(14)21)18(22)20-11-9-13-5-7-15(19)8-6-13/h2-8,10,12H,9,11H2,1H3,(H,20,22)
InChIKeyRCDSCSBQVJZNBK-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

Analyze N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691270
N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide
CID 112529597
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108573158
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide (CID 112529084) is N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide is Cn1ccc2cccc(C(=O)NCCc3ccc(Cl)cc3)c21.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide?
The InChIKey is RCDSCSBQVJZNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-21-12-10-14-3-2-4-16(17(14)21)18(22)20-11-9-13-5-7-15(19)8-6-13/h2-8,10,12H,9,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-methylindole-7-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-(4-chlorophenyl)ethyl]-1-methylindole-7-carboxamide is sourced from PubChem (CID 112529084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).