3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide

C17H15BrN2O — CID 141418547

IUPAC3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide
SMILESNC(=O)c1cc(Br)cc2c3ccccc3n(CC3CC3)c12
InChIInChI=1S/C17H15BrN2O/c18-11-7-13-12-3-1-2-4-15(12)20(9-10-5-6-10)16(13)14(8-11)17(19)21/h1-4,7-8,10H,5-6,9H2,(H2,19,21)
InChIKeyNQYPTABCYVXNKP-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.07
Rot. Bonds3

About 3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide

3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide (PubChem CID 141418547) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide.

Molecular Properties

Compound Name3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide
PubChem CID141418547
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide
SMILESNC(=O)c1cc(Br)cc2c3ccccc3n(CC3CC3)c12
InChIInChI=1S/C17H15BrN2O/c18-11-7-13-12-3-1-2-4-15(12)20(9-10-5-6-10)16(13)14(8-11)17(19)21/h1-4,7-8,10H,5-6,9H2,(H2,19,21)
InChIKeyNQYPTABCYVXNKP-UHFFFAOYSA-N
XLogP4.07
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide?
The IUPAC name of 3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide (CID 141418547) is 3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide.
What is the SMILES notation for 3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide?
The canonical SMILES for 3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide is NC(=O)c1cc(Br)cc2c3ccccc3n(CC3CC3)c12.
What is the InChIKey of 3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide?
The InChIKey is NQYPTABCYVXNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-11-7-13-12-3-1-2-4-15(12)20(9-10-5-6-10)16(13)14(8-11)17(19)21/h1-4,7-8,10H,5-6,9H2,(H2,19,21).
What are the key properties of 3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide?
3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide is sourced from PubChem (CID 141418547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).