3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide

C20H20BrN3O2 — CID 153105516

IUPAC3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)Cc2c(C(N)=O)cc(Br)cc2-3)CC1
InChIInChI=1S/C20H20BrN3O2/c1-23-4-6-24(7-5-23)20(26)12-2-3-15-13(8-12)9-16-17(15)10-14(21)11-18(16)19(22)25/h2-3,8,10-11H,4-7,9H2,1H3,(H2,22,25)
InChIKeyVRXHKUKUIOOIIQ-UHFFFAOYSA-N
MW414.30 g/mol
LogP2.51
Rot. Bonds2

About 3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide

3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide (PubChem CID 153105516) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
PubChem CID153105516
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)Cc2c(C(N)=O)cc(Br)cc2-3)CC1
InChIInChI=1S/C20H20BrN3O2/c1-23-4-6-24(7-5-23)20(26)12-2-3-15-13(8-12)9-16-17(15)10-14(21)11-18(16)19(22)25/h2-3,8,10-11H,4-7,9H2,1H3,(H2,22,25)
InChIKeyVRXHKUKUIOOIIQ-UHFFFAOYSA-N
XLogP2.51
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
CID 160879979
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-fluorene-1-carboxamide
CID 159441478
7-(morpholine-4-carbonyl)-3-(4-morpholin-4-ylphenyl)-9H-fluorene-1-carboxamide
CID 149273217
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
(2-methyl-1,3-dihydroisoindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 59274108
7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 146851107
3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 152964048
3-(cyclohexen-1-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 146686457
3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 159940152
7-(morpholine-4-carbonyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 147925971
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 161097757
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 157375270

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide?
The IUPAC name of 3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide (CID 153105516) is 3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for 3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for 3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)Cc2c(C(N)=O)cc(Br)cc2-3)CC1.
What is the InChIKey of 3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide?
The InChIKey is VRXHKUKUIOOIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-23-4-6-24(7-5-23)20(26)12-2-3-15-13(8-12)9-16-17(15)10-14(21)11-18(16)19(22)25/h2-3,8,10-11H,4-7,9H2,1H3,(H2,22,25).
What are the key properties of 3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide?
3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 153105516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).