6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide

C16H17Br2NO2 — CID 106156588

IUPAC6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide
SMILESCOCC(CCBr)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H17Br2NO2/c1-21-10-15(6-7-17)19-16(20)13-3-2-12-9-14(18)5-4-11(12)8-13/h2-5,8-9,15H,6-7,10H2,1H3,(H,19,20)
InChIKeyPJMDKXNIRQVANO-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.13
Rot. Bonds6

About 6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide

6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide (PubChem CID 106156588) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is 6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide
PubChem CID106156588
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide
SMILESCOCC(CCBr)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H17Br2NO2/c1-21-10-15(6-7-17)19-16(20)13-3-2-12-9-14(18)5-4-11(12)8-13/h2-5,8-9,15H,6-7,10H2,1H3,(H,19,20)
InChIKeyPJMDKXNIRQVANO-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-3,4-difluorobenzamide
CID 114151343
N-(4-bromo-1-methoxybutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 106156204
N-(4-bromo-1-methoxybutan-2-yl)-3,5-dimethoxybenzamide
CID 106156481
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
N-(4-bromo-1-methoxybutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 106155995
6-bromo-N-(2-bromo-3-methoxypropyl)naphthalene-2-carboxamide
CID 115354553
N-(4-bromo-1-methoxybutan-2-yl)-3-methyl-4-nitrobenzamide
CID 106156275
N-(4-bromo-1-methoxybutan-2-yl)-3,4,5-trifluorobenzamide
CID 106156143
N-(4-bromo-1-methoxybutan-2-yl)-2,4-dimethylbenzamide
CID 114151279
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
6-bromo-N-hex-5-yn-3-ylnaphthalene-2-carboxamide
CID 115749088
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide (CID 106156588) is 6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide is COCC(CCBr)NC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide?
The InChIKey is PJMDKXNIRQVANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-21-10-15(6-7-17)19-16(20)13-3-2-12-9-14(18)5-4-11(12)8-13/h2-5,8-9,15H,6-7,10H2,1H3,(H,19,20).
What are the key properties of 6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide?
6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide has a molecular weight of 415.13 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-bromo-1-methoxybutan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 106156588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).