N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide

C20H18ClN3O2 — CID 90511828

IUPACN-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H18ClN3O2/c1-12-16(21)6-4-8-17(12)23-19(25)13-10-24(11-13)20(26)15-9-22-18-7-3-2-5-14(15)18/h2-9,13,22H,10-11H2,1H3,(H,23,25)
InChIKeyMDQWJDORVYLFHY-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.84
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide

N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511828) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511828
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H18ClN3O2/c1-12-16(21)6-4-8-17(12)23-19(25)13-10-24(11-13)20(26)15-9-22-18-7-3-2-5-14(15)18/h2-9,13,22H,10-11H2,1H3,(H,23,25)
InChIKeyMDQWJDORVYLFHY-UHFFFAOYSA-N
XLogP3.84
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-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-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511952
N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511783
N-(4-chloro-3-nitrophenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511872
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
1-(1H-indole-3-carbonyl)-N-(2-oxothiolan-3-yl)azetidine-3-carboxamide
CID 90511905
N-ethyl-1-(1H-indole-3-carbonyl)-N-(3-methylphenyl)azetidine-3-carboxamide
CID 90511743
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 90511870

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide (CID 90511828) is N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)C1CN(C(=O)c2c[nH]c3ccccc23)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is MDQWJDORVYLFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-16(21)6-4-8-17(12)23-19(25)13-10-24(11-13)20(26)15-9-22-18-7-3-2-5-14(15)18/h2-9,13,22H,10-11H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).