3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide

C14H13BrClNO3 — CID 110634306

IUPAC3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide
SMILESO=C(NOCCCc1ccco1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H13BrClNO3/c15-11-7-10(8-12(16)9-11)14(18)17-20-6-2-4-13-3-1-5-19-13/h1,3,5,7-9H,2,4,6H2,(H,17,18)
InChIKeyLBKPUIXLKIALSQ-UHFFFAOYSA-N
MW358.62 g/mol
LogP3.99
Rot. Bonds6

About 3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide

3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide (PubChem CID 110634306) has the molecular formula C14H13BrClNO3 and a molecular weight of 358.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide
PubChem CID110634306
Molecular FormulaC14H13BrClNO3
Molecular Weight358.62 g/mol
Exact Mass356.98
IUPAC Name3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide
SMILESO=C(NOCCCc1ccco1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H13BrClNO3/c15-11-7-10(8-12(16)9-11)14(18)17-20-6-2-4-13-3-1-5-19-13/h1,3,5,7-9H,2,4,6H2,(H,17,18)
InChIKeyLBKPUIXLKIALSQ-UHFFFAOYSA-N
XLogP3.99
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-(furan-2-yl)propoxy]carbamate
CID 110315779
3-bromo-5-chloro-N-phenylmethoxybenzamide
CID 103826514
2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide
CID 110634209
3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941202
ethane;2-(3-methoxypropyl)furan
CID 144595726
3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61139466
N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110634206
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[3-(furan-2-yl)propoxy]acetamide
CID 110634199
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 62161577
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide (CID 110634306) is 3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide is O=C(NOCCCc1ccco1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide?
The InChIKey is LBKPUIXLKIALSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3/c15-11-7-10(8-12(16)9-11)14(18)17-20-6-2-4-13-3-1-5-19-13/h1,3,5,7-9H,2,4,6H2,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide?
3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide has a molecular weight of 358.62 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide is sourced from PubChem (CID 110634306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).