4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide

C19H21BrN2O2 — CID 54192702

IUPAC4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1C1CCN(C)C1
InChIInChI=1S/C19H21BrN2O2/c1-22-10-9-14(12-22)17-11-16(7-8-18(17)24-2)21-19(23)13-3-5-15(20)6-4-13/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyPJQCERDLSCBTNP-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.13
Rot. Bonds4

About 4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide

4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide (PubChem CID 54192702) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide
PubChem CID54192702
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1C1CCN(C)C1
InChIInChI=1S/C19H21BrN2O2/c1-22-10-9-14(12-22)17-11-16(7-8-18(17)24-2)21-19(23)13-3-5-15(20)6-4-13/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyPJQCERDLSCBTNP-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-4-[4-[[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]carbamoyl]phenyl]-3-methylbenzamide
CID 70218996
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CID 10457091
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
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CID 7687877
3-[4-[[3-(1-cyclopentylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]phenyl]benzamide
CID 10255319
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
4-bromo-N-[4-methyl-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 22414591
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide (CID 54192702) is 4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(Br)cc2)cc1C1CCN(C)C1.
What is the InChIKey of 4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide?
The InChIKey is PJQCERDLSCBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-22-10-9-14(12-22)17-11-16(7-8-18(17)24-2)21-19(23)13-3-5-15(20)6-4-13/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide?
4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-methoxy-3-(1-methylpyrrolidin-3-yl)phenyl]benzamide is sourced from PubChem (CID 54192702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).