(6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine

C17H15BrF2N2O — CID 67358065

IUPAC(6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine
SMILESN[C@@H]1CCCN2c3cc(Br)c(F)cc3Oc3c(F)cccc3[C@@H]12
InChIInChI=1S/C17H15BrF2N2O/c18-10-7-14-15(8-12(10)20)23-17-9(3-1-4-11(17)19)16-13(21)5-2-6-22(14)16/h1,3-4,7-8,13,16H,2,5-6,21H2/t13-,16+/m1/s1
InChIKeyJLQPWIRCOQVRPR-CJNGLKHVSA-N
MW381.22 g/mol
LogP4.50
Rot. Bonds

About (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine

(6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine (PubChem CID 67358065) has the molecular formula C17H15BrF2N2O and a molecular weight of 381.22 g/mol. Its IUPAC name is (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine.

Molecular Properties

Compound Name(6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine
PubChem CID67358065
Molecular FormulaC17H15BrF2N2O
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC Name(6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine
SMILESN[C@@H]1CCCN2c3cc(Br)c(F)cc3Oc3c(F)cccc3[C@@H]12
InChIInChI=1S/C17H15BrF2N2O/c18-10-7-14-15(8-12(10)20)23-17-9(3-1-4-11(17)19)16-13(21)5-2-6-22(14)16/h1,3-4,7-8,13,16H,2,5-6,21H2/t13-,16+/m1/s1
InChIKeyJLQPWIRCOQVRPR-CJNGLKHVSA-N
XLogP4.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine?
The IUPAC name of (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine (CID 67358065) is (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine.
What is the SMILES notation for (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine?
The canonical SMILES for (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine is N[C@@H]1CCCN2c3cc(Br)c(F)cc3Oc3c(F)cccc3[C@@H]12.
What is the InChIKey of (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine?
The InChIKey is JLQPWIRCOQVRPR-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H15BrF2N2O/c18-10-7-14-15(8-12(10)20)23-17-9(3-1-4-11(17)19)16-13(21)5-2-6-22(14)16/h1,3-4,7-8,13,16H,2,5-6,21H2/t13-,16+/m1/s1.
What are the key properties of (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine?
(6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine has a molecular weight of 381.22 g/mol, XLogP of 4.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine is sourced from PubChem (CID 67358065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).