N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide

C24H26BNO3 — CID 140776480

IUPACN-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
SMILESCc1ccccc1NC(=O)c1cccc2cc(B3OC(C)(C)C(C)(C)O3)ccc12
InChIInChI=1S/C24H26BNO3/c1-16-9-6-7-12-21(16)26-22(27)20-11-8-10-17-15-18(13-14-19(17)20)25-28-23(2,3)24(4,5)29-25/h6-15H,1-5H3,(H,26,27)
InChIKeyNKUBRJZUWONNEP-UHFFFAOYSA-N
MW387.29 g/mol
LogP4.70
Rot. Bonds3

About N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide

N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide (PubChem CID 140776480) has the molecular formula C24H26BNO3 and a molecular weight of 387.29 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
PubChem CID140776480
Molecular FormulaC24H26BNO3
Molecular Weight387.29 g/mol
Exact Mass387.20
IUPAC NameN-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
SMILESCc1ccccc1NC(=O)c1cccc2cc(B3OC(C)(C)C(C)(C)O3)ccc12
InChIInChI=1S/C24H26BNO3/c1-16-9-6-7-12-21(16)26-22(27)20-11-8-10-17-15-18(13-14-19(17)20)25-28-23(2,3)24(4,5)29-25/h6-15H,1-5H3,(H,26,27)
InChIKeyNKUBRJZUWONNEP-UHFFFAOYSA-N
XLogP4.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389
5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
CID 17101827
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
N-[2-methyl-4-[[3-methyl-4-(naphthalene-1-carbonylamino)phenyl]methyl]phenyl]naphthalene-1-carboxamide
CID 2179862
1,1-diethyl-3-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 156594435
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carbonitrile
CID 133062626
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 123465393
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
2-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 164946099

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide (CID 140776480) is N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide is Cc1ccccc1NC(=O)c1cccc2cc(B3OC(C)(C)C(C)(C)O3)ccc12.
What is the InChIKey of N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The InChIKey is NKUBRJZUWONNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BNO3/c1-16-9-6-7-12-21(16)26-22(27)20-11-8-10-17-15-18(13-14-19(17)20)25-28-23(2,3)24(4,5)29-25/h6-15H,1-5H3,(H,26,27).
What are the key properties of N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide has a molecular weight of 387.29 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 140776480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).