3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide

C14H19BrN2O3 — CID 142041041

IUPAC3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide
SMILESCC[C@H](O)CNC(=O)N1CC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrN2O3/c1-2-11(18)7-16-14(19)17-8-13(9-17)20-12-5-3-10(15)4-6-12/h3-6,11,13,18H,2,7-9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyOSATWCRHCFTNSI-NSHDSACASA-N
MW343.22 g/mol
LogP1.99
Rot. Bonds5

About 3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide

3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide (PubChem CID 142041041) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide
PubChem CID142041041
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide
SMILESCC[C@H](O)CNC(=O)N1CC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C14H19BrN2O3/c1-2-11(18)7-16-14(19)17-8-13(9-17)20-12-5-3-10(15)4-6-12/h3-6,11,13,18H,2,7-9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyOSATWCRHCFTNSI-NSHDSACASA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-3-(4-phenylphenoxy)azetidine-1-carboxamide
CID 23558809
3-(4-bromophenoxy)-1-methylazetidine
CID 84703186
N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122571233
3-(3-bromophenoxy)-N-prop-2-ynylazetidine-1-carboxamide
CID 15053449
1-[2-(4-bromophenoxy)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004339
ethyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 84608470
3-(4-bromophenoxy)-N-cyclopropylpiperidine-1-carboxamide
CID 84611984
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
CID 121494905
tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
3-(2-methoxyphenoxy)-N-(2-piperidin-1-ylbutyl)azetidine-1-carboxamide
CID 122564976
3-(2-methoxyphenoxy)-N-[(2R)-2-piperidin-1-ylbutyl]azetidine-1-carboxamide
CID 125442303
3-(4-bromophenoxy)cyclobutane-1-sulfinyl chloride
CID 177227566

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide?
The IUPAC name of 3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide (CID 142041041) is 3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide is CC[C@H](O)CNC(=O)N1CC(Oc2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide?
The InChIKey is OSATWCRHCFTNSI-NSHDSACASA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-2-11(18)7-16-14(19)17-8-13(9-17)20-12-5-3-10(15)4-6-12/h3-6,11,13,18H,2,7-9H2,1H3,(H,16,19)/t11-/m0/s1.
What are the key properties of 3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide?
3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-[(2S)-2-hydroxybutyl]azetidine-1-carboxamide is sourced from PubChem (CID 142041041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).