3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide

C13H12ClFN2O2 — CID 166236895

IUPAC3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide
SMILESO=C(NC1CC(O)C1)c1[nH]c2ccc(F)cc2c1Cl
InChIInChI=1S/C13H12ClFN2O2/c14-11-9-3-6(15)1-2-10(9)17-12(11)13(19)16-7-4-8(18)5-7/h1-3,7-8,17-18H,4-5H2,(H,16,19)
InChIKeyAATMHCFKUILEDP-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.21
Rot. Bonds2

About 3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide

3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide (PubChem CID 166236895) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide
PubChem CID166236895
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide
SMILESO=C(NC1CC(O)C1)c1[nH]c2ccc(F)cc2c1Cl
InChIInChI=1S/C13H12ClFN2O2/c14-11-9-3-6(15)1-2-10(9)17-12(11)13(19)16-7-4-8(18)5-7/h1-3,7-8,17-18H,4-5H2,(H,16,19)
InChIKeyAATMHCFKUILEDP-UHFFFAOYSA-N
XLogP2.21
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3-chloro-5-fluoro-1H-indole-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543884
N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205089
3-ethyl-5-fluoro-N-[(3R)-oxan-3-yl]-1H-indole-2-carboxamide
CID 51496460
(3R,4R)-1-(3-chloro-5-fluoro-1H-indole-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978693
6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide
CID 166318181
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
CID 146046730
3-chloro-5-fluoro-1H-indole-2-carbonitrile
CID 67516423
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030
N-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 45258699

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide (CID 166236895) is 3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide is O=C(NC1CC(O)C1)c1[nH]c2ccc(F)cc2c1Cl.
What is the InChIKey of 3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide?
The InChIKey is AATMHCFKUILEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c14-11-9-3-6(15)1-2-10(9)17-12(11)13(19)16-7-4-8(18)5-7/h1-3,7-8,17-18H,4-5H2,(H,16,19).
What are the key properties of 3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide?
3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide has a molecular weight of 282.70 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-(3-hydroxycyclobutyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 166236895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).