3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide

C19H16BrNO3 — CID 163283697

IUPAC3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide
SMILESCOc1c(Br)c(C(=O)Nc2ccccc2)c(OC)c2ccccc12
InChIInChI=1S/C19H16BrNO3/c1-23-17-13-10-6-7-11-14(13)18(24-2)16(20)15(17)19(22)21-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,21,22)
InChIKeyZUPVUEVWOOYCAO-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.87
Rot. Bonds4

About 3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide

3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 163283697) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide
PubChem CID163283697
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide
SMILESCOc1c(Br)c(C(=O)Nc2ccccc2)c(OC)c2ccccc12
InChIInChI=1S/C19H16BrNO3/c1-23-17-13-10-6-7-11-14(13)18(24-2)16(20)15(17)19(22)21-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,21,22)
InChIKeyZUPVUEVWOOYCAO-UHFFFAOYSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide
CID 22146664
2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide
CID 87396074
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
3-bromo-N-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]-1-benzothiophene-2-carboxamide
CID 141470890
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651
3,5-ditert-butyl-4-methoxy-N-phenylbenzamide
CID 86191390
3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 22146631
ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 22146630
methyl 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 1258829
7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide
CID 56926230
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
2-methoxy-N-phenyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 147285912

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide (CID 163283697) is 3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide is COc1c(Br)c(C(=O)Nc2ccccc2)c(OC)c2ccccc12.
What is the InChIKey of 3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is ZUPVUEVWOOYCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-23-17-13-10-6-7-11-14(13)18(24-2)16(20)15(17)19(22)21-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,21,22).
What are the key properties of 3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide?
3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 163283697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).