4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide

C23H22BrN3O — CID 4713274

IUPAC4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide
SMILESCC12CCC(c3nc4cc(NC(=O)c5ccc(Br)cc5)ccc4nc31)C2(C)C
InChIInChI=1S/C23H22BrN3O/c1-22(2)16-10-11-23(22,3)20-19(16)26-18-12-15(8-9-17(18)27-20)25-21(28)13-4-6-14(24)7-5-13/h4-9,12,16H,10-11H2,1-3H3,(H,25,28)
InChIKeyFFHVEEMODSIKMU-UHFFFAOYSA-N
MW436.35 g/mol
LogP5.82
Rot. Bonds2

About 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide

4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide (PubChem CID 4713274) has the molecular formula C23H22BrN3O and a molecular weight of 436.35 g/mol. Its IUPAC name is 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide
PubChem CID4713274
Molecular FormulaC23H22BrN3O
Molecular Weight436.35 g/mol
Exact Mass435.09
IUPAC Name4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide
SMILESCC12CCC(c3nc4cc(NC(=O)c5ccc(Br)cc5)ccc4nc31)C2(C)C
InChIInChI=1S/C23H22BrN3O/c1-22(2)16-10-11-23(22,3)20-19(16)26-18-12-15(8-9-17(18)27-20)25-21(28)13-4-6-14(24)7-5-13/h4-9,12,16H,10-11H2,1-3H3,(H,25,28)
InChIKeyFFHVEEMODSIKMU-UHFFFAOYSA-N
XLogP5.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.35
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide
CID 4713111
3,5-dinitro-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide
CID 4713335
N-(4-bromophenyl)-6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834740
(1R,12S)-6,7-dichloro-1,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
CID 91028007
N-(2,1,3-benzothiadiazol-5-yl)-4-bromobenzamide
CID 26823481
N-(2-chlorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-sulfonamide
CID 4840478
N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847635
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834682
4-bromo-N-(3-bromo-4-hydroxyphenyl)benzamide
CID 3482679
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
N-(4-propan-2-ylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847662

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide?
The IUPAC name of 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide (CID 4713274) is 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide?
The canonical SMILES for 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide is CC12CCC(c3nc4cc(NC(=O)c5ccc(Br)cc5)ccc4nc31)C2(C)C.
What is the InChIKey of 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide?
The InChIKey is FFHVEEMODSIKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O/c1-22(2)16-10-11-23(22,3)20-19(16)26-18-12-15(8-9-17(18)27-20)25-21(28)13-4-6-14(24)7-5-13/h4-9,12,16H,10-11H2,1-3H3,(H,25,28).
What are the key properties of 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide?
4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide has a molecular weight of 436.35 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-6-yl)benzamide is sourced from PubChem (CID 4713274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).