N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide

C19H20BrFN2O2 — CID 75382210

IUPACN-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(Br)ccc2N2CCCC2)cc1F
InChIInChI=1S/C19H20BrFN2O2/c1-25-18-7-4-13(10-15(18)21)11-19(24)22-16-12-14(20)5-6-17(16)23-8-2-3-9-23/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,22,24)
InChIKeyKSFRNMUERWMGQI-UHFFFAOYSA-N
MW407.28 g/mol
LogP4.38
Rot. Bonds5

About N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide

N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 75382210) has the molecular formula C19H20BrFN2O2 and a molecular weight of 407.28 g/mol. Its IUPAC name is N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID75382210
Molecular FormulaC19H20BrFN2O2
Molecular Weight407.28 g/mol
Exact Mass406.07
IUPAC NameN-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(Br)ccc2N2CCCC2)cc1F
InChIInChI=1S/C19H20BrFN2O2/c1-25-18-7-4-13(10-15(18)21)11-19(24)22-16-12-14(20)5-6-17(16)23-8-2-3-9-23/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,22,24)
InChIKeyKSFRNMUERWMGQI-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 39166458
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 26292366
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(3-methoxyphenyl)acetamide
CID 55363801
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 46813553
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 16564265
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18200362
2-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)acetamide
CID 110362005
N-(2-benzylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045822
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143639

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide (CID 75382210) is N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cc(Br)ccc2N2CCCC2)cc1F.
What is the InChIKey of N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is KSFRNMUERWMGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O2/c1-25-18-7-4-13(10-15(18)21)11-19(24)22-16-12-14(20)5-6-17(16)23-8-2-3-9-23/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,22,24).
What are the key properties of N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 407.28 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 75382210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).