5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide

C18H11Cl3N2OS — CID 22775522

IUPAC5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cccc2c(Cl)cccc12
InChIInChI=1S/C18H11Cl3N2OS/c19-10-7-8-15(21)16(9-10)22-18(25)23-17(24)13-5-1-4-12-11(13)3-2-6-14(12)20/h1-9H,(H2,22,23,24,25)
InChIKeyYZBRZMIDKKYKOR-UHFFFAOYSA-N
MW409.73 g/mol
LogP5.93
Rot. Bonds2

About 5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide

5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide (PubChem CID 22775522) has the molecular formula C18H11Cl3N2OS and a molecular weight of 409.73 g/mol. Its IUPAC name is 5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide
PubChem CID22775522
Molecular FormulaC18H11Cl3N2OS
Molecular Weight409.73 g/mol
Exact Mass407.97
IUPAC Name5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cccc2c(Cl)cccc12
InChIInChI=1S/C18H11Cl3N2OS/c19-10-7-8-15(21)16(9-10)22-18(25)23-17(24)13-5-1-4-12-11(13)3-2-6-14(12)20/h1-9H,(H2,22,23,24,25)
InChIKeyYZBRZMIDKKYKOR-UHFFFAOYSA-N
XLogP5.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.73
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210
N-[(4-bromo-2-iodophenyl)carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 3568567
5-chloro-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 4503555
5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide
CID 4559222
N-[(4-benzamidophenyl)carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 17103692
3-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 2265258
N-[[3-(butanoylamino)phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 22778393
5-chloro-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 17102050
5-bromo-N-[(3,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 2202028
N-[[4-(butanoylamino)phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 22778394
5-chloro-N-[[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 17315170
5-(2,3-dichlorophenyl)-N-[(2,5-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 2065633

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide (CID 22775522) is 5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide is O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is YZBRZMIDKKYKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3N2OS/c19-10-7-8-15(21)16(9-10)22-18(25)23-17(24)13-5-1-4-12-11(13)3-2-6-14(12)20/h1-9H,(H2,22,23,24,25).
What are the key properties of 5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide?
5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 409.73 g/mol, XLogP of 5.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 22775522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).