4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

C19H18BrFN2O2 — CID 134012574

IUPAC4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C19H18BrFN2O2/c20-13-8-9-14(16(21)12-13)18(24)22-17-7-3-2-6-15(17)19(25)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,22,24)
InChIKeyORHMDNOLMDONMT-UHFFFAOYSA-N
MW405.27 g/mol
LogP4.47
Rot. Bonds3

About 4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 134012574) has the molecular formula C19H18BrFN2O2 and a molecular weight of 405.27 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID134012574
Molecular FormulaC19H18BrFN2O2
Molecular Weight405.27 g/mol
Exact Mass404.05
IUPAC Name4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C19H18BrFN2O2/c20-13-8-9-14(16(21)12-13)18(24)22-17-7-3-2-6-15(17)19(25)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,22,24)
InChIKeyORHMDNOLMDONMT-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-fluorophenyl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850149
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17357287
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 37079607
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
6-oxo-5-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-1H-pyridine-2-carboxylic acid
CID 167825807
2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
CID 62537050
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55770978

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (CID 134012574) is 4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is ORHMDNOLMDONMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O2/c20-13-8-9-14(16(21)12-13)18(24)22-17-7-3-2-6-15(17)19(25)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,22,24).
What are the key properties of 4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 405.27 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 134012574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).