3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide

C19H14Cl2N2O2S — CID 1048337

IUPAC3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C19H14Cl2N2O2S/c1-25-17-14(9-12(20)10-15(17)21)18(24)23-19(26)22-16-8-4-6-11-5-2-3-7-13(11)16/h2-10H,1H3,(H2,22,23,24,26)
InChIKeyQPLFBWKWRDSGJR-UHFFFAOYSA-N
MW405.31 g/mol
LogP5.28
Rot. Bonds3

About 3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide

3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide (PubChem CID 1048337) has the molecular formula C19H14Cl2N2O2S and a molecular weight of 405.31 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide
PubChem CID1048337
Molecular FormulaC19H14Cl2N2O2S
Molecular Weight405.31 g/mol
Exact Mass404.02
IUPAC Name3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C19H14Cl2N2O2S/c1-25-17-14(9-12(20)10-15(17)21)18(24)23-19(26)22-16-8-4-6-11-5-2-3-7-13(11)16/h2-10H,1H3,(H2,22,23,24,26)
InChIKeyQPLFBWKWRDSGJR-UHFFFAOYSA-N
XLogP5.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dichloro-2-methoxybenzoyl)carbamothioylamino]benzoic acid
CID 4506814
2-bromo-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 4577510
3,5-dichloro-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-2-methoxybenzamide
CID 17109734
3,5-dichloro-N-[(4-ethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 5068179
3,5-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide
CID 2993805
3,5-dichloro-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 5254358
N-[4-[(3,5-dichloro-2-methoxybenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21214817
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
2-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid
CID 17103881
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 22775388
N-(naphthalen-1-ylcarbamothioyl)butanamide
CID 916625
3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 881399

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide?
The IUPAC name of 3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide (CID 1048337) is 3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide?
The canonical SMILES for 3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide is COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc2ccccc12.
What is the InChIKey of 3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide?
The InChIKey is QPLFBWKWRDSGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2S/c1-25-17-14(9-12(20)10-15(17)21)18(24)23-19(26)22-16-8-4-6-11-5-2-3-7-13(11)16/h2-10H,1H3,(H2,22,23,24,26).
What are the key properties of 3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide?
3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide has a molecular weight of 405.31 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide is sourced from PubChem (CID 1048337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).