3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide

C16H15Br2N3 — CID 123176475

IUPAC3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide
SMILESC/N=C(\N)CCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C16H15Br2N3/c1-20-16(19)6-7-21-14-8-10(17)2-4-12(14)13-5-3-11(18)9-15(13)21/h2-5,8-9H,6-7H2,1H3,(H2,19,20)
InChIKeyRCUDABLUBGZUNS-UHFFFAOYSA-N
MW409.13 g/mol
LogP4.70
Rot. Bonds3

About 3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide

3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide (PubChem CID 123176475) has the molecular formula C16H15Br2N3 and a molecular weight of 409.13 g/mol. Its IUPAC name is 3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide.

Molecular Properties

Compound Name3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide
PubChem CID123176475
Molecular FormulaC16H15Br2N3
Molecular Weight409.13 g/mol
Exact Mass406.96
IUPAC Name3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide
SMILESC/N=C(\N)CCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C16H15Br2N3/c1-20-16(19)6-7-21-14-8-10(17)2-4-12(14)13-5-3-11(18)9-15(13)21/h2-5,8-9H,6-7H2,1H3,(H2,19,20)
InChIKeyRCUDABLUBGZUNS-UHFFFAOYSA-N
XLogP4.70
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.13
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,7-dibromo-9-propylcarbazole;propane
CID 144652939
2,7-dibromo-9-(3-bromopropyl)carbazole
CID 172552809
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
2,7-dibromo-9-methylcarbazole
CID 11851387
7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine
CID 53338588
2-[7-bromo-3-[2-(dimethylamino)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 139805083
N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine
CID 134281226
tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
CID 90220378
2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole
CID 134294519
4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal
CID 144652940
1-(2,7-dibromocarbazol-9-yl)ethanone
CID 58556563
1-(2,7-dibromocarbazol-9-yl)-3-[4-[3-(2,7-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 171985372

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide?
The IUPAC name of 3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide (CID 123176475) is 3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide.
What is the SMILES notation for 3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide?
The canonical SMILES for 3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide is C/N=C(\N)CCn1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of 3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide?
The InChIKey is RCUDABLUBGZUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N3/c1-20-16(19)6-7-21-14-8-10(17)2-4-12(14)13-5-3-11(18)9-15(13)21/h2-5,8-9H,6-7H2,1H3,(H2,19,20).
What are the key properties of 3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide?
3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide has a molecular weight of 409.13 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide is sourced from PubChem (CID 123176475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).