N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide

C14H10BrClN2OS — CID 2731170

IUPACN-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H10BrClN2OS/c15-11-7-6-10(8-12(11)16)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20)
InChIKeyGRHRZHDNPNMSMF-UHFFFAOYSA-N
MW369.67 g/mol
LogP4.23
Rot. Bonds2

About N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide

N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide (PubChem CID 2731170) has the molecular formula C14H10BrClN2OS and a molecular weight of 369.67 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide
PubChem CID2731170
Molecular FormulaC14H10BrClN2OS
Molecular Weight369.67 g/mol
Exact Mass367.94
IUPAC NameN-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H10BrClN2OS/c15-11-7-6-10(8-12(11)16)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20)
InChIKeyGRHRZHDNPNMSMF-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 54.23
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

N-[(3,4-dichlorophenyl)carbamothioyl]-4-phenylbenzamide
CID 2209802
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-phenylbenzamide
CID 2209632
N-[4-[(4-bromo-3-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954823
N-[(3-bromo-4-hydroxy-5-methylphenyl)carbamothioyl]benzamide
CID 91674602
N-[(4-benzamidophenyl)carbamothioyl]-2-bromobenzamide
CID 978368
3-bromo-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]benzamide
CID 3260684
4-(benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
CID 50850018
N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide
CID 3311772
N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
CID 107617517
3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87471438
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953049
2-chloro-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]benzamide
CID 5254364

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide (CID 2731170) is N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide?
The InChIKey is GRHRZHDNPNMSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2OS/c15-11-7-6-10(8-12(11)16)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20).
What are the key properties of N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide?
N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide has a molecular weight of 369.67 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 2731170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).