N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide

C14H15FN2O — CID 110641872

IUPACN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide
SMILESCc1cc(CNC(=O)c2cccc(F)c2)c(C)[nH]1
InChIInChI=1S/C14H15FN2O/c1-9-6-12(10(2)17-9)8-16-14(18)11-4-3-5-13(15)7-11/h3-7,17H,8H2,1-2H3,(H,16,18)
InChIKeyMOQHTZUSHYRYIL-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.70
Rot. Bonds3

About N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide (PubChem CID 110641872) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide
PubChem CID110641872
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide
SMILESCc1cc(CNC(=O)c2cccc(F)c2)c(C)[nH]1
InChIInChI=1S/C14H15FN2O/c1-9-6-12(10(2)17-9)8-16-14(18)11-4-3-5-13(15)7-11/h3-7,17H,8H2,1-2H3,(H,16,18)
InChIKeyMOQHTZUSHYRYIL-UHFFFAOYSA-N
XLogP2.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluorobenzamide
CID 110325266
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
1-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-phenylurea
CID 110641908
N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
CID 112997286
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110786198

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide?
The IUPAC name of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide (CID 110641872) is N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide is Cc1cc(CNC(=O)c2cccc(F)c2)c(C)[nH]1.
What is the InChIKey of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide?
The InChIKey is MOQHTZUSHYRYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-6-12(10(2)17-9)8-16-14(18)11-4-3-5-13(15)7-11/h3-7,17H,8H2,1-2H3,(H,16,18).
What are the key properties of N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide?
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide has a molecular weight of 246.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 110641872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).