N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide

C15H12Cl2N2O2S — CID 132591174

IUPACN-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESNC(=S)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O2S/c16-11-4-1-10(13(17)7-11)8-21-12-5-2-9(3-6-12)14(20)19-15(18)22/h1-7H,8H2,(H3,18,19,20,22)
InChIKeyPUIJIVJFYAZWEG-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.55
Rot. Bonds4

About N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide

N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide (PubChem CID 132591174) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide
PubChem CID132591174
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC NameN-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESNC(=S)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O2S/c16-11-4-1-10(13(17)7-11)8-21-12-5-2-9(3-6-12)14(20)19-15(18)22/h1-7H,8H2,(H3,18,19,20,22)
InChIKeyPUIJIVJFYAZWEG-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.55
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

(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 1018571
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 51061815
2-[4-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 51061822
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 137105852
3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682789
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061552

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide (CID 132591174) is N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide is NC(=S)NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is PUIJIVJFYAZWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c16-11-4-1-10(13(17)7-11)8-21-12-5-2-9(3-6-12)14(20)19-15(18)22/h1-7H,8H2,(H3,18,19,20,22).
What are the key properties of N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide?
N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 355.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 132591174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).