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

C16H16BrNO2 — CID 115283360

IUPAC6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H16BrNO2/c17-14-4-3-11-7-13(2-1-12(11)8-14)15(20)18-9-16(10-19)5-6-16/h1-4,7-8,19H,5-6,9-10H2,(H,18,20)
InChIKeyWHAWIEDWIKNXNW-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.10
Rot. Bonds4

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

6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide (PubChem CID 115283360) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
PubChem CID115283360
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H16BrNO2/c17-14-4-3-11-7-13(2-1-12(11)8-14)15(20)18-9-16(10-19)5-6-16/h1-4,7-8,19H,5-6,9-10H2,(H,18,20)
InChIKeyWHAWIEDWIKNXNW-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 167752625
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
CID 113434894
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453
6-[[3-(hydroxymethyl)oxetan-3-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 166289686
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 80716840
N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 114758301
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide (CID 115283360) is 6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide is O=C(NCC1(CO)CC1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide?
The InChIKey is WHAWIEDWIKNXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-14-4-3-11-7-13(2-1-12(11)8-14)15(20)18-9-16(10-19)5-6-16/h1-4,7-8,19H,5-6,9-10H2,(H,18,20).
What are the key properties of 6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide?
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide has a molecular weight of 334.21 g/mol, XLogP of 3.10, 4 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]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 115283360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).