4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide

C19H22Cl2N2O — CID 155545377

IUPAC4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc3c(Cl)cc(Cl)cc3[nH]1)C2
InChIInChI=1S/C19H22Cl2N2O/c1-18(2)10-4-5-19(18,3)16(6-10)23-17(24)15-9-12-13(21)7-11(20)8-14(12)22-15/h7-10,16,22H,4-6H2,1-3H3,(H,23,24)/t10-,16+,19-/m0/s1
InChIKeyCGYLRHPALQBQAM-KEMVTONXSA-N
MW365.30 g/mol
LogP5.42
Rot. Bonds2

About 4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide

4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide (PubChem CID 155545377) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
PubChem CID155545377
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc3c(Cl)cc(Cl)cc3[nH]1)C2
InChIInChI=1S/C19H22Cl2N2O/c1-18(2)10-4-5-19(18,3)16(6-10)23-17(24)15-9-12-13(21)7-11(20)8-14(12)22-15/h7-10,16,22H,4-6H2,1-3H3,(H,23,24)/t10-,16+,19-/m0/s1
InChIKeyCGYLRHPALQBQAM-KEMVTONXSA-N
XLogP5.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.30
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide (CID 155545377) is 4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide is CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc3c(Cl)cc(Cl)cc3[nH]1)C2.
What is the InChIKey of 4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
The InChIKey is CGYLRHPALQBQAM-KEMVTONXSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-18(2)10-4-5-19(18,3)16(6-10)23-17(24)15-9-12-13(21)7-11(20)8-14(12)22-15/h7-10,16,22H,4-6H2,1-3H3,(H,23,24)/t10-,16+,19-/m0/s1.
What are the key properties of 4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide?
4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide has a molecular weight of 365.30 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155545377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).