5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide

C13H12ClF2N3O — CID 139371650

IUPAC5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide
SMILESC[C@H]1NC[C@H]1NC(=O)c1cc2cc(Cl)c(F)c(F)c2[nH]1
InChIInChI=1S/C13H12ClF2N3O/c1-5-9(4-17-5)19-13(20)8-3-6-2-7(14)10(15)11(16)12(6)18-8/h2-3,5,9,17-18H,4H2,1H3,(H,19,20)/t5-,9-/m1/s1
InChIKeyCHLMBJNMGNWQDA-MLUIRONXSA-N
MW299.71 g/mol
LogP2.19
Rot. Bonds2

About 5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide

5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 139371650) has the molecular formula C13H12ClF2N3O and a molecular weight of 299.71 g/mol. Its IUPAC name is 5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide
PubChem CID139371650
Molecular FormulaC13H12ClF2N3O
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide
SMILESC[C@H]1NC[C@H]1NC(=O)c1cc2cc(Cl)c(F)c(F)c2[nH]1
InChIInChI=1S/C13H12ClF2N3O/c1-5-9(4-17-5)19-13(20)8-3-6-2-7(14)10(15)11(16)12(6)18-8/h2-3,5,9,17-18H,4H2,1H3,(H,19,20)/t5-,9-/m1/s1
InChIKeyCHLMBJNMGNWQDA-MLUIRONXSA-N
XLogP2.19
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6,7-difluoro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 139371482
(5-chloro-6,7-difluoro-1H-indol-2-yl)-[(3S,4S)-3,4-diaminopyrrolidin-1-yl]methanone
CID 139371670
2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone
CID 157202078
7-chloro-N-(2-methyloxolan-3-yl)-1H-indole-2-carboxamide
CID 166475954
7-chloro-N-[(2S,3S)-2-methyloxolan-3-yl]-1H-indole-2-carboxamide
CID 166475971
7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide
CID 63117948
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
2,2,2-trifluoro-N-[(2S)-2-methylazetidin-3-yl]acetamide
CID 162581118
2-[(1R,2R)-2-[(5-chloro-7-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 11675427
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
2-[(1R,2R)-2-[(5-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 46891446
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide (CID 139371650) is 5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide is C[C@H]1NC[C@H]1NC(=O)c1cc2cc(Cl)c(F)c(F)c2[nH]1.
What is the InChIKey of 5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is CHLMBJNMGNWQDA-MLUIRONXSA-N. The full InChI is InChI=1S/C13H12ClF2N3O/c1-5-9(4-17-5)19-13(20)8-3-6-2-7(14)10(15)11(16)12(6)18-8/h2-3,5,9,17-18H,4H2,1H3,(H,19,20)/t5-,9-/m1/s1.
What are the key properties of 5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide?
5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 299.71 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6,7-difluoro-N-[(2R,3R)-2-methylazetidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 139371650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).