4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide

C18H11BrCl3NO2 — CID 17111249

IUPAC4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc2ccccc2c1Br
InChIInChI=1S/C18H11BrCl3NO2/c1-25-17-11(6-9-4-2-3-5-10(9)16(17)19)18(24)23-15-8-13(21)12(20)7-14(15)22/h2-8H,1H3,(H,23,24)
InChIKeyHZTHYAVIJIMRMC-UHFFFAOYSA-N
MW459.55 g/mol
LogP6.82
Rot. Bonds3

About 4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide

4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide (PubChem CID 17111249) has the molecular formula C18H11BrCl3NO2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
PubChem CID17111249
Molecular FormulaC18H11BrCl3NO2
Molecular Weight459.55 g/mol
Exact Mass456.90
IUPAC Name4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc2ccccc2c1Br
InChIInChI=1S/C18H11BrCl3NO2/c1-25-17-11(6-9-4-2-3-5-10(9)16(17)19)18(24)23-15-8-13(21)12(20)7-14(15)22/h2-8H,1H3,(H,23,24)
InChIKeyHZTHYAVIJIMRMC-UHFFFAOYSA-N
XLogP6.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-chloro-5-(propanoylamino)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 1255864
4-bromo-N-(4-iodo-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 17117485
4-bromo-N-(2,4-dimethoxyphenyl)-3-methoxynaphthalene-2-carboxamide
CID 2235743
3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 28668842
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
methyl 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 1258829
4-bromo-N-(5-bromo-2-pyridinyl)-3-methoxynaphthalene-2-carboxamide
CID 3654451
4-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 17117728
4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-2-chlorobenzoic acid
CID 17114232
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromo-3-methoxynaphthalene-2-carboxamide
CID 17116598
2-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid
CID 17103881

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide?
The IUPAC name of 4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide (CID 17111249) is 4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide is COc1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc2ccccc2c1Br.
What is the InChIKey of 4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide?
The InChIKey is HZTHYAVIJIMRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrCl3NO2/c1-25-17-11(6-9-4-2-3-5-10(9)16(17)19)18(24)23-15-8-13(21)12(20)7-14(15)22/h2-8H,1H3,(H,23,24).
What are the key properties of 4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide?
4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 6.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 17111249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).