ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate

C20H19BrN2O3 — CID 90375067

IUPACethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate
SMILESCCOC(=O)c1ccc2c3cc(Br)cc(C(N)=O)c3n(CC3CC3)c2c1
InChIInChI=1S/C20H19BrN2O3/c1-2-26-20(25)12-5-6-14-15-8-13(21)9-16(19(22)24)18(15)23(17(14)7-12)10-11-3-4-11/h5-9,11H,2-4,10H2,1H3,(H2,22,24)
InChIKeyAAMULPRRUZZHTH-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.24
Rot. Bonds5

About ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate

ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate (PubChem CID 90375067) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate
PubChem CID90375067
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Nameethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate
SMILESCCOC(=O)c1ccc2c3cc(Br)cc(C(N)=O)c3n(CC3CC3)c2c1
InChIInChI=1S/C20H19BrN2O3/c1-2-26-20(25)12-5-6-14-15-8-13(21)9-16(19(22)24)18(15)23(17(14)7-12)10-11-3-4-11/h5-9,11H,2-4,10H2,1H3,(H2,22,24)
InChIKeyAAMULPRRUZZHTH-UHFFFAOYSA-N
XLogP4.24
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate?
The IUPAC name of ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate (CID 90375067) is ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate is CCOC(=O)c1ccc2c3cc(Br)cc(C(N)=O)c3n(CC3CC3)c2c1.
What is the InChIKey of ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate?
The InChIKey is AAMULPRRUZZHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-2-26-20(25)12-5-6-14-15-8-13(21)9-16(19(22)24)18(15)23(17(14)7-12)10-11-3-4-11/h5-9,11H,2-4,10H2,1H3,(H2,22,24).
What are the key properties of ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate?
ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate has a molecular weight of 415.29 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylate is sourced from PubChem (CID 90375067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).