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

C20H21BrN2O2 — CID 46655948

IUPAC2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1Br
InChIInChI=1S/C20H21BrN2O2/c21-18-7-3-2-6-17(18)19(24)22-14-15-8-10-16(11-9-15)20(25)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H,22,24)
InChIKeyWUJQUEOJYJXWAP-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.01
Rot. Bonds4

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

2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 46655948) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID46655948
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Name2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1Br
InChIInChI=1S/C20H21BrN2O2/c21-18-7-3-2-6-17(18)19(24)22-14-15-8-10-16(11-9-15)20(25)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H,22,24)
InChIKeyWUJQUEOJYJXWAP-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 24551331
4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 24516970
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide
CID 26977124
2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
CID 18153747
4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 38762920
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 136536492
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 45479079
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 18153772

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide (CID 46655948) is 2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is WUJQUEOJYJXWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c21-18-7-3-2-6-17(18)19(24)22-14-15-8-10-16(11-9-15)20(25)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H,22,24).
What are the key properties of 2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 401.30 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46655948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).