2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide

C14H11ClN2O2S — CID 968980

IUPAC2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1Cl
InChIInChI=1S/C14H11ClN2O2S/c15-12-4-2-1-3-11(12)13(19)17-14(20)16-9-5-7-10(18)8-6-9/h1-8,18H,(H2,16,17,19,20)
InChIKeyFZXGBJCWOYZXFZ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide

2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 968980) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID968980
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1Cl
InChIInChI=1S/C14H11ClN2O2S/c15-12-4-2-1-3-11(12)13(19)17-14(20)16-9-5-7-10(18)8-6-9/h1-8,18H,(H2,16,17,19,20)
InChIKeyFZXGBJCWOYZXFZ-UHFFFAOYSA-N
XLogP3.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triflumuron
CID 47445
2-Chloro-N-(4-hydroxyphenyl)benzamide
CID 587567
N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide
CID 833376
Urea, 1-benzoyl-3-(o-hydroxyphenyl)-2-thio-
CID 872065
N-(((4-Hydroxyphenyl)amino)thioxomethyl)benzamide
CID 882379
2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
CID 884638
2-chloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
CID 884879
1-(2-Chloro-4-fluoro-benzoyl)-3-(3,4-dihydroxy-phenyl)-urea
CID 11681381
1-(2,4-Dichloro-benzoyl)-3-(3-hydroxy-phenyl)-urea
CID 11709609
N-(2-chlorobenzoyl)-N'-(4-methoxyphenyl)thiourea
CID 682158
4-chloro-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
CID 4627357
2-chloro-N-(2-hydroxyphenyl)benzamide
CID 307291

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide (CID 968980) is 2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is FZXGBJCWOYZXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-12-4-2-1-3-11(12)13(19)17-14(20)16-9-5-7-10(18)8-6-9/h1-8,18H,(H2,16,17,19,20).
What are the key properties of 2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide has a molecular weight of 306.77 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 968980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).