5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide

C19H15Cl3N2O2 — CID 139994656

IUPAC5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1c(Cl)cc2c(c1Cl)CCCC2O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H15Cl3N2O2/c20-10-4-5-14-9(6-10)7-15(23-14)19(26)24-18-13(21)8-12-11(17(18)22)2-1-3-16(12)25/h4-8,16,23,25H,1-3H2,(H,24,26)
InChIKeySFUSFTIWUAEMHS-UHFFFAOYSA-N
MW409.70 g/mol
LogP5.75
Rot. Bonds2

About 5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide

5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide (PubChem CID 139994656) has the molecular formula C19H15Cl3N2O2 and a molecular weight of 409.70 g/mol. Its IUPAC name is 5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide
PubChem CID139994656
Molecular FormulaC19H15Cl3N2O2
Molecular Weight409.70 g/mol
Exact Mass408.02
IUPAC Name5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1c(Cl)cc2c(c1Cl)CCCC2O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H15Cl3N2O2/c20-10-4-5-14-9(6-10)7-15(23-14)19(26)24-18-13(21)8-12-11(17(18)22)2-1-3-16(12)25/h4-8,16,23,25H,1-3H2,(H,24,26)
InChIKeySFUSFTIWUAEMHS-UHFFFAOYSA-N
XLogP5.75
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-[(5R)-1,3,6,6-tetrafluoro-5-hydroxy-7,8-dihydro-5H-naphthalen-2-yl]-1H-indole-2-carboxamide
CID 25147540
5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide
CID 11255709
5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide
CID 91404604
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
CID 113207257
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
CID 11488766
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
methyl 4-chloro-3-[(5-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207244
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide (CID 139994656) is 5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide is O=C(Nc1c(Cl)cc2c(c1Cl)CCCC2O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide?
The InChIKey is SFUSFTIWUAEMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O2/c20-10-4-5-14-9(6-10)7-15(23-14)19(26)24-18-13(21)8-12-11(17(18)22)2-1-3-16(12)25/h4-8,16,23,25H,1-3H2,(H,24,26).
What are the key properties of 5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide?
5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide has a molecular weight of 409.70 g/mol, XLogP of 5.75, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-dichloro-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 139994656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).