2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide

C15H15BrFN3O — CID 114559517

IUPAC2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CN(C(=O)c1c(F)cccc1Br)C1CC1
InChIInChI=1S/C15H15BrFN3O/c1-19-8-7-18-13(19)9-20(10-5-6-10)15(21)14-11(16)3-2-4-12(14)17/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyOOYFDTSERIYTJC-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.13
Rot. Bonds4

About 2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide

2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 114559517) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID114559517
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CN(C(=O)c1c(F)cccc1Br)C1CC1
InChIInChI=1S/C15H15BrFN3O/c1-19-8-7-18-13(19)9-20(10-5-6-10)15(21)14-11(16)3-2-4-12(14)17/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyOOYFDTSERIYTJC-UHFFFAOYSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 106545014
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60959154
2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 114559566
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426
6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
CID 61051446
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 114559517) is 2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1CN(C(=O)c1c(F)cccc1Br)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is OOYFDTSERIYTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-19-8-7-18-13(19)9-20(10-5-6-10)15(21)14-11(16)3-2-4-12(14)17/h2-4,7-8,10H,5-6,9H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 352.21 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 114559517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).