N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide

C12H15BrClNO2 — CID 106307307

IUPACN-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide
SMILESO=C(NCCCOCCBr)c1ccc(Cl)cc1
InChIInChI=1S/C12H15BrClNO2/c13-6-9-17-8-1-7-15-12(16)10-2-4-11(14)5-3-10/h2-5H,1,6-9H2,(H,15,16)
InChIKeySYUJLRHHNWJOGH-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.87
Rot. Bonds7

About N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide

N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide (PubChem CID 106307307) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide
PubChem CID106307307
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC NameN-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide
SMILESO=C(NCCCOCCBr)c1ccc(Cl)cc1
InChIInChI=1S/C12H15BrClNO2/c13-6-9-17-8-1-7-15-12(16)10-2-4-11(14)5-3-10/h2-5H,1,6-9H2,(H,15,16)
InChIKeySYUJLRHHNWJOGH-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-bromoethoxy)propyl]-3-chloro-4-fluorobenzamide
CID 114171496
N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
CID 106307533
N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
CID 114171510
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide
CID 106307182
N-[3-(2-bromoethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171422
N-[3-(2-bromoethoxy)propyl]-2-chloro-3-fluorobenzamide
CID 114171447
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
N-[3-(2-bromoethoxy)propyl]-3-chloro-5-nitrobenzamide
CID 106307204
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide
CID 106157415
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide (CID 106307307) is N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide is O=C(NCCCOCCBr)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide?
The InChIKey is SYUJLRHHNWJOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c13-6-9-17-8-1-7-15-12(16)10-2-4-11(14)5-3-10/h2-5H,1,6-9H2,(H,15,16).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide?
N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide has a molecular weight of 320.61 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide is sourced from PubChem (CID 106307307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).