5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide

C14H11BrF2N2OS — CID 115297076

IUPAC5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
SMILESNc1ccc(Br)c(C(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C14H11BrF2N2OS/c15-12-6-1-8(18)7-11(12)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyRODFUBBXWTXVJY-UHFFFAOYSA-N
MW373.22 g/mol
LogP4.60
Rot. Bonds4

About 5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide

5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide (PubChem CID 115297076) has the molecular formula C14H11BrF2N2OS and a molecular weight of 373.22 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
PubChem CID115297076
Molecular FormulaC14H11BrF2N2OS
Molecular Weight373.22 g/mol
Exact Mass371.97
IUPAC Name5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
SMILESNc1ccc(Br)c(C(=O)Nc2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C14H11BrF2N2OS/c15-12-6-1-8(18)7-11(12)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20)
InChIKeyRODFUBBXWTXVJY-UHFFFAOYSA-N
XLogP4.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-pyrimidin-5-ylbenzamide
CID 107587335
4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-fluorobenzamide
CID 63188288
N-[4-(difluoromethylsulfanyl)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380582
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-4-methylbenzamide
CID 43699005
2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 114917622
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807351
4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
CID 60955535
N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzamide
CID 7731668
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 26908550

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide (CID 115297076) is 5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide is Nc1ccc(Br)c(C(=O)Nc2ccc(SC(F)F)cc2)c1.
What is the InChIKey of 5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
The InChIKey is RODFUBBXWTXVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2OS/c15-12-6-1-8(18)7-11(12)13(20)19-9-2-4-10(5-3-9)21-14(16)17/h1-7,14H,18H2,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide?
5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide has a molecular weight of 373.22 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 115297076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).