4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide

C15H11ClF2N2O — CID 82771926

IUPAC4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H11ClF2N2O/c16-11-7-12(17)10(6-13(11)18)15(21)20-9-1-2-14-8(5-9)3-4-19-14/h1-2,5-7,19H,3-4H2,(H,20,21)
InChIKeyBQEBVFVCIPWOBF-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.84
Rot. Bonds2

About 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide

4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide (PubChem CID 82771926) has the molecular formula C15H11ClF2N2O and a molecular weight of 308.72 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide
PubChem CID82771926
Molecular FormulaC15H11ClF2N2O
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H11ClF2N2O/c16-11-7-12(17)10(6-13(11)18)15(21)20-9-1-2-14-8(5-9)3-4-19-14/h1-2,5-7,19H,3-4H2,(H,20,21)
InChIKeyBQEBVFVCIPWOBF-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
N-(2,3-dihydro-1H-indol-5-yl)-2-fluoro-5-methylbenzamide
CID 63252982
2-bromo-5-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 103806053
2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide
CID 103806044
N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide
CID 63252893
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide
CID 82772330
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
3-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 55169715
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzamide
CID 63252782
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)furan-2-carboxamide
CID 55168567
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-2-carboxamide
CID 63252721

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide (CID 82771926) is 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide is O=C(Nc1ccc2c(c1)CCN2)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide?
The InChIKey is BQEBVFVCIPWOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O/c16-11-7-12(17)10(6-13(11)18)15(21)20-9-1-2-14-8(5-9)3-4-19-14/h1-2,5-7,19H,3-4H2,(H,20,21).
What are the key properties of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide?
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide has a molecular weight of 308.72 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 82771926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).