N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

C20H21BrFNO2 — CID 55983342

IUPACN-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2(c3cccc(Br)c3)CCC2)cc1F
InChIInChI=1S/C20H21BrFNO2/c1-25-18-8-6-14(12-17(18)22)7-9-19(24)23-20(10-3-11-20)15-4-2-5-16(21)13-15/h2,4-6,8,12-13H,3,7,9-11H2,1H3,(H,23,24)
InChIKeyRGFPNQZMXNQHHB-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.72
Rot. Bonds6

About N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 55983342) has the molecular formula C20H21BrFNO2 and a molecular weight of 406.30 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID55983342
Molecular FormulaC20H21BrFNO2
Molecular Weight406.30 g/mol
Exact Mass405.07
IUPAC NameN-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2(c3cccc(Br)c3)CCC2)cc1F
InChIInChI=1S/C20H21BrFNO2/c1-25-18-8-6-14(12-17(18)22)7-9-19(24)23-20(10-3-11-20)15-4-2-5-16(21)13-15/h2,4-6,8,12-13H,3,7,9-11H2,1H3,(H,23,24)
InChIKeyRGFPNQZMXNQHHB-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
CID 51264432
7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
CID 119744837
3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
CID 51273236
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182
1-[3-(3-bromophenyl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450964
1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55957750
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (CID 55983342) is N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2(c3cccc(Br)c3)CCC2)cc1F.
What is the InChIKey of N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is RGFPNQZMXNQHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFNO2/c1-25-18-8-6-14(12-17(18)22)7-9-19(24)23-20(10-3-11-20)15-4-2-5-16(21)13-15/h2,4-6,8,12-13H,3,7,9-11H2,1H3,(H,23,24).
What are the key properties of N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 406.30 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 55983342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).