2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide

C24H26BrNO2 — CID 101159147

IUPAC2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
SMILESCOc1c(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc2ccccc2c1Br
InChIInChI=1S/C24H26BrNO2/c1-15(2)26(16(3)4)24(27)20-13-9-8-12-19(20)21-14-17-10-6-7-11-18(17)22(25)23(21)28-5/h6-16H,1-5H3
InChIKeyXOBBVDOWYCIGKC-UHFFFAOYSA-N
MW440.38 g/mol
LogP6.54
Rot. Bonds5

About 2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide

2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide (PubChem CID 101159147) has the molecular formula C24H26BrNO2 and a molecular weight of 440.38 g/mol. Its IUPAC name is 2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
PubChem CID101159147
Molecular FormulaC24H26BrNO2
Molecular Weight440.38 g/mol
Exact Mass439.11
IUPAC Name2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
SMILESCOc1c(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc2ccccc2c1Br
InChIInChI=1S/C24H26BrNO2/c1-15(2)26(16(3)4)24(27)20-13-9-8-12-19(20)21-14-17-10-6-7-11-18(17)22(25)23(21)28-5/h6-16H,1-5H3
InChIKeyXOBBVDOWYCIGKC-UHFFFAOYSA-N
XLogP6.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide (CID 101159147) is 2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide is COc1c(-c2ccccc2C(=O)N(C(C)C)C(C)C)cc2ccccc2c1Br.
What is the InChIKey of 2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is XOBBVDOWYCIGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrNO2/c1-15(2)26(16(3)4)24(27)20-13-9-8-12-19(20)21-14-17-10-6-7-11-18(17)22(25)23(21)28-5/h6-16H,1-5H3.
What are the key properties of 2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide?
2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 440.38 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 101159147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).