4-bromo-N-cyclopropylnaphthalene-1-carboxamide

C14H12BrNO — CID 70699727

IUPAC4-bromo-N-cyclopropylnaphthalene-1-carboxamide
SMILESO=C(NC1CC1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C14H12BrNO/c15-13-8-7-12(14(17)16-9-5-6-9)10-3-1-2-4-11(10)13/h1-4,7-9H,5-6H2,(H,16,17)
InChIKeyGLVNUWFQCYRPJR-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.49
Rot. Bonds2

About 4-bromo-N-cyclopropylnaphthalene-1-carboxamide

4-bromo-N-cyclopropylnaphthalene-1-carboxamide (PubChem CID 70699727) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-bromo-N-cyclopropylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropylnaphthalene-1-carboxamide
PubChem CID70699727
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name4-bromo-N-cyclopropylnaphthalene-1-carboxamide
SMILESO=C(NC1CC1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C14H12BrNO/c15-13-8-7-12(14(17)16-9-5-6-9)10-3-1-2-4-11(10)13/h1-4,7-9H,5-6H2,(H,16,17)
InChIKeyGLVNUWFQCYRPJR-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
N-cyclohexyl-4-hydroxynaphthalene-1-carboxamide
CID 699930
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
(4-bromonaphthalen-1-yl)-cyclobutylmethanone
CID 79596781
2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 3410866
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
CID 75486566
2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide
CID 154739991
2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895
1-amino-N-cyclopentylisoquinoline-4-carboxamide
CID 106770096

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropylnaphthalene-1-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropylnaphthalene-1-carboxamide (CID 70699727) is 4-bromo-N-cyclopropylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropylnaphthalene-1-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropylnaphthalene-1-carboxamide is O=C(NC1CC1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-cyclopropylnaphthalene-1-carboxamide?
The InChIKey is GLVNUWFQCYRPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-13-8-7-12(14(17)16-9-5-6-9)10-3-1-2-4-11(10)13/h1-4,7-9H,5-6H2,(H,16,17).
What are the key properties of 4-bromo-N-cyclopropylnaphthalene-1-carboxamide?
4-bromo-N-cyclopropylnaphthalene-1-carboxamide has a molecular weight of 290.16 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropylnaphthalene-1-carboxamide is sourced from PubChem (CID 70699727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).