6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide

C15H14BrNO2 — CID 113344700

IUPAC6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
SMILESO=C(NC1(CO)CC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H14BrNO2/c16-13-4-3-10-7-12(2-1-11(10)8-13)14(19)17-15(9-18)5-6-15/h1-4,7-8,18H,5-6,9H2,(H,17,19)
InChIKeyVMBBAKHFPKHQCV-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.86
Rot. Bonds3

About 6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide

6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide (PubChem CID 113344700) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
PubChem CID113344700
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
SMILESO=C(NC1(CO)CC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H14BrNO2/c16-13-4-3-10-7-12(2-1-11(10)8-13)14(19)17-15(9-18)5-6-15/h1-4,7-8,18H,5-6,9H2,(H,17,19)
InChIKeyVMBBAKHFPKHQCV-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
6-bromo-N-carbamoylnaphthalene-2-carboxamide
CID 115354574
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 115353635
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide (CID 113344700) is 6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide is O=C(NC1(CO)CC1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide?
The InChIKey is VMBBAKHFPKHQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-13-4-3-10-7-12(2-1-11(10)8-13)14(19)17-15(9-18)5-6-15/h1-4,7-8,18H,5-6,9H2,(H,17,19).
What are the key properties of 6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide?
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 113344700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).