5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide

C23H29BrN2O2 — CID 59347780

IUPAC5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1
InChIInChI=1S/C23H29BrN2O2/c1-16-14-18(24)15-19(20(16)28-4)22(27)25-21(17-10-6-5-7-11-17)23(2,3)26-12-8-9-13-26/h5-7,10-11,14-15,21H,8-9,12-13H2,1-4H3,(H,25,27)
InChIKeyKZUSZRIPGDBZAQ-UHFFFAOYSA-N
MW445.40 g/mol
LogP5.11
Rot. Bonds6

About 5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide

5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 59347780) has the molecular formula C23H29BrN2O2 and a molecular weight of 445.40 g/mol. Its IUPAC name is 5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
PubChem CID59347780
Molecular FormulaC23H29BrN2O2
Molecular Weight445.40 g/mol
Exact Mass444.14
IUPAC Name5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1
InChIInChI=1S/C23H29BrN2O2/c1-16-14-18(24)15-19(20(16)28-4)22(27)25-21(17-10-6-5-7-11-17)23(2,3)26-12-8-9-13-26/h5-7,10-11,14-15,21H,8-9,12-13H2,1-4H3,(H,25,27)
InChIKeyKZUSZRIPGDBZAQ-UHFFFAOYSA-N
XLogP5.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-difluoroethyl)-2-methoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 70325594
2,4-dimethyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 59347917
3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 11654614
2,4-dichloro-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 11509669
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
CID 28674733
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 3950855
N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)-2-methylsulfanyl-4,6-bis(trifluoromethyl)benzamide
CID 59347805
3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoic acid
CID 22777929
2-methoxy-6-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl)-4-(trifluoromethyl)benzamide
CID 70878782

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide (CID 59347780) is 5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide is COc1c(C)cc(Br)cc1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1.
What is the InChIKey of 5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is KZUSZRIPGDBZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O2/c1-16-14-18(24)15-19(20(16)28-4)22(27)25-21(17-10-6-5-7-11-17)23(2,3)26-12-8-9-13-26/h5-7,10-11,14-15,21H,8-9,12-13H2,1-4H3,(H,25,27).
What are the key properties of 5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 445.40 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-3-methyl-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 59347780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).