6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide

C17H18BrNO2 — CID 115283344

IUPAC6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CCCC1O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H18BrNO2/c18-15-7-6-11-8-13(5-4-12(11)9-15)17(21)19-10-14-2-1-3-16(14)20/h4-9,14,16,20H,1-3,10H2,(H,19,21)
InChIKeyAQANXVFHGJXCCQ-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.49
Rot. Bonds3

About 6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide

6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide (PubChem CID 115283344) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
PubChem CID115283344
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CCCC1O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H18BrNO2/c18-15-7-6-11-8-13(5-4-12(11)9-15)17(21)19-10-14-2-1-3-16(14)20/h4-9,14,16,20H,1-3,10H2,(H,19,21)
InChIKeyAQANXVFHGJXCCQ-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide
CID 103727506
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
6-bromo-N-(thian-4-ylmethyl)naphthalene-2-carboxamide
CID 115749078
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114821777
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide (CID 115283344) is 6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide is O=C(NCC1CCCC1O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide?
The InChIKey is AQANXVFHGJXCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c18-15-7-6-11-8-13(5-4-12(11)9-15)17(21)19-10-14-2-1-3-16(14)20/h4-9,14,16,20H,1-3,10H2,(H,19,21).
What are the key properties of 6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide?
6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 115283344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).