2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide

C20H23BrN2O3 — CID 141047368

IUPAC2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2Br)ccc1OCCN1CCCC1
InChIInChI=1S/C20H23BrN2O3/c1-25-19-14-15(22-20(24)16-6-2-3-7-17(16)21)8-9-18(19)26-13-12-23-10-4-5-11-23/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,24)
InChIKeyNSQRUNVWKPYOPQ-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.18
Rot. Bonds7

About 2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide

2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide (PubChem CID 141047368) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
PubChem CID141047368
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2Br)ccc1OCCN1CCCC1
InChIInChI=1S/C20H23BrN2O3/c1-25-19-14-15(22-20(24)16-6-2-3-7-17(16)21)8-9-18(19)26-13-12-23-10-4-5-11-23/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,24)
InChIKeyNSQRUNVWKPYOPQ-UHFFFAOYSA-N
XLogP4.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-phenylthiophene-3-carboxamide
CID 86597114
4-chloro-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitrobenzamide
CID 58980869
N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride
CID 44535104
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
1-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(1S)-1-phenylethyl]urea
CID 71462874
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
CID 122218723
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
N-(3,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 43010479
2-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42752888
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide (CID 141047368) is 2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide is COc1cc(NC(=O)c2ccccc2Br)ccc1OCCN1CCCC1.
What is the InChIKey of 2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The InChIKey is NSQRUNVWKPYOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-25-19-14-15(22-20(24)16-6-2-3-7-17(16)21)8-9-18(19)26-13-12-23-10-4-5-11-23/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,24).
What are the key properties of 2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide has a molecular weight of 419.32 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 141047368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).