5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide

C12H9BrClFN2OS — CID 102832679

IUPAC5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2cc(Br)c(Cl)s2)ccc1F
InChIInChI=1S/C12H9BrClFN2OS/c13-9-4-7(19-11(9)14)5-17-6-1-2-10(15)8(3-6)12(16)18/h1-4,17H,5H2,(H2,16,18)
InChIKeyIZHSYYKJOWPBOO-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.01
Rot. Bonds4

About 5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide

5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide (PubChem CID 102832679) has the molecular formula C12H9BrClFN2OS and a molecular weight of 363.64 g/mol. Its IUPAC name is 5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide
PubChem CID102832679
Molecular FormulaC12H9BrClFN2OS
Molecular Weight363.64 g/mol
Exact Mass361.93
IUPAC Name5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2cc(Br)c(Cl)s2)ccc1F
InChIInChI=1S/C12H9BrClFN2OS/c13-9-4-7(19-11(9)14)5-17-6-1-2-10(15)8(3-6)12(16)18/h1-4,17H,5H2,(H2,16,18)
InChIKeyIZHSYYKJOWPBOO-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-fluoroaniline
CID 102836173
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]benzamide
CID 102830891
5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide
CID 83236587
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3,5-dichloro-4-fluoroaniline
CID 107572582
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline
CID 102829948
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-methylsulfanylaniline
CID 102830221
6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine
CID 102836645
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-chloro-4-methylaniline
CID 102830042
5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzamide
CID 112582017

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide?
The IUPAC name of 5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide (CID 102832679) is 5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide is NC(=O)c1cc(NCc2cc(Br)c(Cl)s2)ccc1F.
What is the InChIKey of 5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide?
The InChIKey is IZHSYYKJOWPBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2OS/c13-9-4-7(19-11(9)14)5-17-6-1-2-10(15)8(3-6)12(16)18/h1-4,17H,5H2,(H2,16,18).
What are the key properties of 5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide?
5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide has a molecular weight of 363.64 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide is sourced from PubChem (CID 102832679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).