4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

C19H21BrN2O — CID 55851395

IUPAC4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCc1cc(Br)ccc1C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21BrN2O/c1-14-12-16(20)6-9-18(14)19(23)21-13-15-4-7-17(8-5-15)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)
InChIKeyZRPZORNLGFOAJI-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.29
Rot. Bonds4

About 4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 55851395) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID55851395
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCc1cc(Br)ccc1C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21BrN2O/c1-14-12-16(20)6-9-18(14)19(23)21-13-15-4-7-17(8-5-15)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)
InChIKeyZRPZORNLGFOAJI-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
4-bromo-N-[(4-carbamothioylphenyl)methyl]-2-methylbenzamide
CID 62310631
4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide
CID 55826122
3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 154837608
6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
CID 55850238
4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide
CID 55849221
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86830423
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
4-[(S)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616770

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 55851395) is 4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is Cc1cc(Br)ccc1C(=O)NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is ZRPZORNLGFOAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-14-12-16(20)6-9-18(14)19(23)21-13-15-4-7-17(8-5-15)22-10-2-3-11-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23).
What are the key properties of 4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 373.29 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55851395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).