3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide

C23H27BrN2O4 — CID 35275154

IUPAC3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C23H27BrN2O4/c1-3-13-30-21-18(24)14-16(15-20(21)29-2)22(27)25-19-10-6-5-9-17(19)23(28)26-11-7-4-8-12-26/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3,(H,25,27)
InChIKeyCLHAQNZGTMZLQZ-UHFFFAOYSA-N
MW475.38 g/mol
LogP5.12
Rot. Bonds7

About 3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide

3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide (PubChem CID 35275154) has the molecular formula C23H27BrN2O4 and a molecular weight of 475.38 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
PubChem CID35275154
Molecular FormulaC23H27BrN2O4
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C23H27BrN2O4/c1-3-13-30-21-18(24)14-16(15-20(21)29-2)22(27)25-19-10-6-5-9-17(19)23(28)26-11-7-4-8-12-26/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3,(H,25,27)
InChIKeyCLHAQNZGTMZLQZ-UHFFFAOYSA-N
XLogP5.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide
CID 4938002
3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 7258591
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 4948823
3-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide
CID 5034614
5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17357287
5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 37079607
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide (CID 35275154) is 3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide?
The InChIKey is CLHAQNZGTMZLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O4/c1-3-13-30-21-18(24)14-16(15-20(21)29-2)22(27)25-19-10-6-5-9-17(19)23(28)26-11-7-4-8-12-26/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3,(H,25,27).
What are the key properties of 3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide?
3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide has a molecular weight of 475.38 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 35275154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).