3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide

C14H17BrClNO2 — CID 103995768

IUPAC3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
SMILESO=C(NCCOC1CCCC1)c1cccc(Br)c1Cl
InChIInChI=1S/C14H17BrClNO2/c15-12-7-3-6-11(13(12)16)14(18)17-8-9-19-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,17,18)
InChIKeyLDLBPBBDTGOAER-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.79
Rot. Bonds5

About 3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide

3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide (PubChem CID 103995768) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
PubChem CID103995768
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
SMILESO=C(NCCOC1CCCC1)c1cccc(Br)c1Cl
InChIInChI=1S/C14H17BrClNO2/c15-12-7-3-6-11(13(12)16)14(18)17-8-9-19-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,17,18)
InChIKeyLDLBPBBDTGOAER-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
3-amino-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 112575924
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
3-bromo-2-chloro-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 103989334
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103993790
4-chloro-N-(2-cyclopentyloxyethyl)-2-hydroxybenzamide
CID 55151514
2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
CID 106501857
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
CID 63833449
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide (CID 103995768) is 3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide is O=C(NCCOC1CCCC1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide?
The InChIKey is LDLBPBBDTGOAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-12-7-3-6-11(13(12)16)14(18)17-8-9-19-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,17,18).
What are the key properties of 3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide?
3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide has a molecular weight of 346.65 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide is sourced from PubChem (CID 103995768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).