3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

C15H19BrClNO3 — CID 103993790

IUPAC3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESO=C(NCCCOCC1CCCO1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H19BrClNO3/c16-13-6-1-5-12(14(13)17)15(19)18-7-3-8-20-10-11-4-2-9-21-11/h1,5-6,11H,2-4,7-10H2,(H,18,19)
InChIKeyRTHHVJYUAZQNSF-UHFFFAOYSA-N
MW376.68 g/mol
LogP3.42
Rot. Bonds7

About 3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (PubChem CID 103993790) has the molecular formula C15H19BrClNO3 and a molecular weight of 376.68 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
PubChem CID103993790
Molecular FormulaC15H19BrClNO3
Molecular Weight376.68 g/mol
Exact Mass375.02
IUPAC Name3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESO=C(NCCCOCC1CCCO1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H19BrClNO3/c16-13-6-1-5-12(14(13)17)15(19)18-7-3-8-20-10-11-4-2-9-21-11/h1,5-6,11H,2-4,7-10H2,(H,18,19)
InChIKeyRTHHVJYUAZQNSF-UHFFFAOYSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide
CID 95625533
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
CID 107261499
4,5-dibromo-N-[3-(oxolan-2-ylmethoxy)propyl]thiophene-2-carboxamide
CID 78912774
3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 103995768
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 81227781

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (CID 103993790) is 3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is O=C(NCCCOCC1CCCO1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The InChIKey is RTHHVJYUAZQNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO3/c16-13-6-1-5-12(14(13)17)15(19)18-7-3-8-20-10-11-4-2-9-21-11/h1,5-6,11H,2-4,7-10H2,(H,18,19).
What are the key properties of 3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide has a molecular weight of 376.68 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 103993790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).