1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide

C14H17BrN2O3 — CID 75436935

IUPAC1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(C(=O)C(O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H17BrN2O3/c1-2-16-13(19)10-7-17(8-10)14(20)12(18)9-3-5-11(15)6-4-9/h3-6,10,12,18H,2,7-8H2,1H3,(H,16,19)
InChIKeyOAXGCTVJFQIIMB-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.08
Rot. Bonds4

About 1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide

1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide (PubChem CID 75436935) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide
PubChem CID75436935
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(C(=O)C(O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H17BrN2O3/c1-2-16-13(19)10-7-17(8-10)14(20)12(18)9-3-5-11(15)6-4-9/h3-6,10,12,18H,2,7-8H2,1H3,(H,16,19)
InChIKeyOAXGCTVJFQIIMB-UHFFFAOYSA-N
XLogP1.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115697061
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
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2-(4-bromophenyl)-2-hydroxy-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
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2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
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(2-oxo-2-pyrrolidin-1-ylethyl) (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 95631856
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
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1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
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4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide
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2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
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2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
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CID 101469464

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide?
The IUPAC name of 1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide (CID 75436935) is 1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide is CCNC(=O)C1CN(C(=O)C(O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide?
The InChIKey is OAXGCTVJFQIIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-2-16-13(19)10-7-17(8-10)14(20)12(18)9-3-5-11(15)6-4-9/h3-6,10,12,18H,2,7-8H2,1H3,(H,16,19).
What are the key properties of 1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide?
1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide is sourced from PubChem (CID 75436935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).