N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide

C15H15BrN2O — CID 80979361

IUPACN-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2cc(Br)ccc2c1)N1CCCC1
InChIInChI=1S/C15H15BrN2O/c16-13-5-3-12-10-14(6-4-11(12)9-13)17-15(19)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19)
InChIKeyXFAJARHFEIACIM-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.23
Rot. Bonds1

About N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide

N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide (PubChem CID 80979361) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide
PubChem CID80979361
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2cc(Br)ccc2c1)N1CCCC1
InChIInChI=1S/C15H15BrN2O/c16-13-5-3-12-10-14(6-4-11(12)9-13)17-15(19)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19)
InChIKeyXFAJARHFEIACIM-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methyl-5-(pyrrolidine-1-carbonylamino)benzoic acid
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N-(4-bromo-3-methoxyphenyl)pyrrolidine-1-carboxamide
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N-(3,4-dimethylphenyl)piperidine-1-carboxamide
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2-methyl-5-(piperidine-1-carbonylamino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide (CID 80979361) is N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccc2cc(Br)ccc2c1)N1CCCC1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is XFAJARHFEIACIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-13-5-3-12-10-14(6-4-11(12)9-13)17-15(19)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19).
What are the key properties of N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide?
N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 80979361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).