N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide

C14H14BrFN2O2 — CID 75379741

IUPACN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(Cc1cc(Br)cn1C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H14BrFN2O2/c1-17-7-9(15)5-11(17)8-18(2)14(20)12-6-10(16)3-4-13(12)19/h3-7,19H,8H2,1-2H3
InChIKeyBMRWTLCIICSLKT-UHFFFAOYSA-N
MW341.18 g/mol
LogP2.90
Rot. Bonds3

About N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide

N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide (PubChem CID 75379741) has the molecular formula C14H14BrFN2O2 and a molecular weight of 341.18 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
PubChem CID75379741
Molecular FormulaC14H14BrFN2O2
Molecular Weight341.18 g/mol
Exact Mass340.02
IUPAC NameN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
SMILESCN(Cc1cc(Br)cn1C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H14BrFN2O2/c1-17-7-9(15)5-11(17)8-18(2)14(20)12-6-10(16)3-4-13(12)19/h3-7,19H,8H2,1-2H3
InChIKeyBMRWTLCIICSLKT-UHFFFAOYSA-N
XLogP2.90
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide (CID 75379741) is N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide is CN(Cc1cc(Br)cn1C)C(=O)c1cc(F)ccc1O.
What is the InChIKey of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide?
The InChIKey is BMRWTLCIICSLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2/c1-17-7-9(15)5-11(17)8-18(2)14(20)12-6-10(16)3-4-13(12)19/h3-7,19H,8H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide?
N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide has a molecular weight of 341.18 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 75379741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).