N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide

C15H20BrNO3 — CID 136545999

IUPACN-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide
SMILESCC1(O)CC(C(=O)NC(CCO)c2ccccc2Br)C1
InChIInChI=1S/C15H20BrNO3/c1-15(20)8-10(9-15)14(19)17-13(6-7-18)11-4-2-3-5-12(11)16/h2-5,10,13,18,20H,6-9H2,1H3,(H,17,19)
InChIKeyRQBDUBYQOFGRQO-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.15
Rot. Bonds5

About N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide

N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide (PubChem CID 136545999) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide
PubChem CID136545999
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide
SMILESCC1(O)CC(C(=O)NC(CCO)c2ccccc2Br)C1
InChIInChI=1S/C15H20BrNO3/c1-15(20)8-10(9-15)14(19)17-13(6-7-18)11-4-2-3-5-12(11)16/h2-5,10,13,18,20H,6-9H2,1H3,(H,17,19)
InChIKeyRQBDUBYQOFGRQO-UHFFFAOYSA-N
XLogP2.15
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
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N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
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(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
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N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
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2-[1-(2-bromophenyl)propylamino]ethanol
CID 115707470
tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate
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CID 79204955

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide (CID 136545999) is N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide is CC1(O)CC(C(=O)NC(CCO)c2ccccc2Br)C1.
What is the InChIKey of N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide?
The InChIKey is RQBDUBYQOFGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-15(20)8-10(9-15)14(19)17-13(6-7-18)11-4-2-3-5-12(11)16/h2-5,10,13,18,20H,6-9H2,1H3,(H,17,19).
What are the key properties of N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide?
N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide has a molecular weight of 342.23 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 136545999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).