3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C16H14BrN3O3 — CID 26687166

IUPAC3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESO=C(CCOc1cccc(Br)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14BrN3O3/c17-10-2-1-3-12(8-10)23-7-6-15(21)18-11-4-5-13-14(9-11)20-16(22)19-13/h1-5,8-9H,6-7H2,(H,18,21)(H2,19,20,22)
InChIKeyCFUQSPPBMWESIB-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.03
Rot. Bonds5

About 3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 26687166) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID26687166
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESO=C(CCOc1cccc(Br)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14BrN3O3/c17-10-2-1-3-12(8-10)23-7-6-15(21)18-11-4-5-13-14(9-11)20-16(22)19-13/h1-5,8-9H,6-7H2,(H,18,21)(H2,19,20,22)
InChIKeyCFUQSPPBMWESIB-UHFFFAOYSA-N
XLogP3.03
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
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CID 26710610
N-(3-amino-4-chlorophenyl)-3-(3-bromophenoxy)propanamide
CID 28531859
3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164
3-(3-bromophenoxy)-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86931919
3-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
CID 26576342
4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
CID 8698575
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439
6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide
CID 118730983
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040
4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 47098019

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 26687166) is 3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is O=C(CCOc1cccc(Br)c1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is CFUQSPPBMWESIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c17-10-2-1-3-12(8-10)23-7-6-15(21)18-11-4-5-13-14(9-11)20-16(22)19-13/h1-5,8-9H,6-7H2,(H,18,21)(H2,19,20,22).
What are the key properties of 3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 376.21 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 26687166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).