6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide

C15H14BrNO — CID 113278363

IUPAC6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
SMILESCC1CC1NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H14BrNO/c1-9-6-14(9)17-15(18)12-3-2-11-8-13(16)5-4-10(11)7-12/h2-5,7-9,14H,6H2,1H3,(H,17,18)
InChIKeyMAQUZFJNIGEPGU-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.74
Rot. Bonds2

About 6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide

6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide (PubChem CID 113278363) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
PubChem CID113278363
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
SMILESCC1CC1NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H14BrNO/c1-9-6-14(9)17-15(18)12-3-2-11-8-13(16)5-4-10(11)7-12/h2-5,7-9,14H,6H2,1H3,(H,17,18)
InChIKeyMAQUZFJNIGEPGU-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
CID 115354131
6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 115354184
3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 55210410
2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 103755142
N-acetyl-6-bromonaphthalene-2-carboxamide
CID 115353964
4-iodo-N-(2-methylcyclopropyl)benzamide
CID 58185353
6-bromo-N-carbamoylnaphthalene-2-carboxamide
CID 115354574
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
CID 114962080
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide (CID 113278363) is 6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide is CC1CC1NC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide?
The InChIKey is MAQUZFJNIGEPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-9-6-14(9)17-15(18)12-3-2-11-8-13(16)5-4-10(11)7-12/h2-5,7-9,14H,6H2,1H3,(H,17,18).
What are the key properties of 6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide?
6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide has a molecular weight of 304.19 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 113278363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).