4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide

C19H15BrINO2 — CID 17117485

IUPAC4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(I)cc2C)cc2ccccc2c1Br
InChIInChI=1S/C19H15BrINO2/c1-11-9-13(21)7-8-16(11)22-19(23)15-10-12-5-3-4-6-14(12)17(20)18(15)24-2/h3-10H,1-2H3,(H,22,23)
InChIKeyRZLPPTTUSPINQC-UHFFFAOYSA-N
MW496.14 g/mol
LogP5.78
Rot. Bonds3

About 4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide

4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 17117485) has the molecular formula C19H15BrINO2 and a molecular weight of 496.14 g/mol. Its IUPAC name is 4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID17117485
Molecular FormulaC19H15BrINO2
Molecular Weight496.14 g/mol
Exact Mass494.93
IUPAC Name4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(I)cc2C)cc2ccccc2c1Br
InChIInChI=1S/C19H15BrINO2/c1-11-9-13(21)7-8-16(11)22-19(23)15-10-12-5-3-4-6-14(12)17(20)18(15)24-2/h3-10H,1-2H3,(H,22,23)
InChIKeyRZLPPTTUSPINQC-UHFFFAOYSA-N
XLogP5.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.14
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2,4-dimethoxyphenyl)-3-methoxynaphthalene-2-carboxamide
CID 2235743
4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
CID 17111249
4-bromo-3-methoxy-N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]naphthalene-2-carboxamide
CID 17117779
3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 28668842
methyl 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 1258829
4-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 17103874
4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
CID 3654451
4-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 95733480
4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 50882559
N-[4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 17117544
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide
CID 17116598
4-bromo-N-[2-chloro-5-(propanoylamino)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 1255864

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide (CID 17117485) is 4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide is COc1c(C(=O)Nc2ccc(I)cc2C)cc2ccccc2c1Br.
What is the InChIKey of 4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is RZLPPTTUSPINQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrINO2/c1-11-9-13(21)7-8-16(11)22-19(23)15-10-12-5-3-4-6-14(12)17(20)18(15)24-2/h3-10H,1-2H3,(H,22,23).
What are the key properties of 4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide?
4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 496.14 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 17117485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).