N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide

C19H20BrFN2O2 — CID 130255032

IUPACN-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cccc(CN2CCCC(O)C2)c1
InChIInChI=1S/C19H20BrFN2O2/c20-17-10-15(6-7-18(17)21)22-19(25)14-4-1-3-13(9-14)11-23-8-2-5-16(24)12-23/h1,3-4,6-7,9-10,16,24H,2,5,8,11-12H2,(H,22,25)
InChIKeyJUDZNKFAMMMNFN-UHFFFAOYSA-N
MW407.28 g/mol
LogP3.80
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide

N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide (PubChem CID 130255032) has the molecular formula C19H20BrFN2O2 and a molecular weight of 407.28 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
PubChem CID130255032
Molecular FormulaC19H20BrFN2O2
Molecular Weight407.28 g/mol
Exact Mass406.07
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cccc(CN2CCCC(O)C2)c1
InChIInChI=1S/C19H20BrFN2O2/c20-17-10-15(6-7-18(17)21)22-19(25)14-4-1-3-13(9-14)11-23-8-2-5-16(24)12-23/h1,3-4,6-7,9-10,16,24H,2,5,8,11-12H2,(H,22,25)
InChIKeyJUDZNKFAMMMNFN-UHFFFAOYSA-N
XLogP3.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 95134565
3-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 95134564
1-[3-[[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methyl]phenyl]ethanone
CID 25381608
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide
CID 146128757

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide (CID 130255032) is N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide is O=C(Nc1ccc(F)c(Br)c1)c1cccc(CN2CCCC(O)C2)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide?
The InChIKey is JUDZNKFAMMMNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O2/c20-17-10-15(6-7-18(17)21)22-19(25)14-4-1-3-13(9-14)11-23-8-2-5-16(24)12-23/h1,3-4,6-7,9-10,16,24H,2,5,8,11-12H2,(H,22,25).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide?
N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide has a molecular weight of 407.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 130255032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).