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

C15H15BrFN3O — CID 106545014

IUPAC3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CN(C(=O)c1cccc(Br)c1F)C1CC1
InChIInChI=1S/C15H15BrFN3O/c1-19-8-7-18-13(19)9-20(10-5-6-10)15(21)11-3-2-4-12(16)14(11)17/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyPJLAQQRFBAIOLF-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.13
Rot. Bonds4

About 3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide

3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 106545014) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID106545014
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CN(C(=O)c1cccc(Br)c1F)C1CC1
InChIInChI=1S/C15H15BrFN3O/c1-19-8-7-18-13(19)9-20(10-5-6-10)15(21)11-3-2-4-12(16)14(11)17/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyPJLAQQRFBAIOLF-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

2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 56741582
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 107952170
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
CID 61051446

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 106545014) is 3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1CN(C(=O)c1cccc(Br)c1F)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is PJLAQQRFBAIOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-19-8-7-18-13(19)9-20(10-5-6-10)15(21)11-3-2-4-12(16)14(11)17/h2-4,7-8,10H,5-6,9H2,1H3.
What are the key properties of 3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
3-bromo-N-cyclopropyl-2-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 3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 106545014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).