N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide

C10H9BrClFN2O — CID 107611945

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)C1CNC1
InChIInChI=1S/C10H9BrClFN2O/c11-7-1-6(13)2-8(12)9(7)15-10(16)5-3-14-4-5/h1-2,5,14H,3-4H2,(H,15,16)
InChIKeyQWZCMOVHVFEHEH-UHFFFAOYSA-N
MW307.55 g/mol
LogP2.40
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide (PubChem CID 107611945) has the molecular formula C10H9BrClFN2O and a molecular weight of 307.55 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide
PubChem CID107611945
Molecular FormulaC10H9BrClFN2O
Molecular Weight307.55 g/mol
Exact Mass305.96
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)C1CNC1
InChIInChI=1S/C10H9BrClFN2O/c11-7-1-6(13)2-8(12)9(7)15-10(16)5-3-14-4-5/h1-2,5,14H,3-4H2,(H,15,16)
InChIKeyQWZCMOVHVFEHEH-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 107611969
N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 107470607
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107609255
N-(2,6-dichloro-4-fluorophenyl)cyclopropanecarboxamide
CID 82889777
N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
CID 107612535
N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 103578333
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
5-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107615328
cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
CID 112738568
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107611920
N-(2-bromo-6-chloro-4-fluorophenyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 107614809
N-(2-bromo-6-chloro-4-fluorophenyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 107615208

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide (CID 107611945) is N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide is O=C(Nc1c(Cl)cc(F)cc1Br)C1CNC1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide?
The InChIKey is QWZCMOVHVFEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFN2O/c11-7-1-6(13)2-8(12)9(7)15-10(16)5-3-14-4-5/h1-2,5,14H,3-4H2,(H,15,16).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide has a molecular weight of 307.55 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide is sourced from PubChem (CID 107611945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).