4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide

C18H20N2O2 — CID 168511942

IUPAC4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1N1CCCC1
InChIInChI=1S/C18H20N2O2/c1-22-17-10-9-14(13-16(17)20-11-5-6-12-20)18(21)19-15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,21)
InChIKeyDGXILLGXSLIQAG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds4

About 4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide

4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide (PubChem CID 168511942) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide
PubChem CID168511942
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1N1CCCC1
InChIInChI=1S/C18H20N2O2/c1-22-17-10-9-14(13-16(17)20-11-5-6-12-20)18(21)19-15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,21)
InChIKeyDGXILLGXSLIQAG-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide
CID 3922164
3-cyano-4-methoxy-N-phenylbenzamide
CID 18626252
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-(4-methoxy-3-nitrophenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 3979125
4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 110424980
1-(4-methoxy-3-pyrrolidin-1-ylphenyl)-3-methylbutan-1-one
CID 94274092
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of 4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide (CID 168511942) is 4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide is COc1ccc(C(=O)Nc2ccccc2)cc1N1CCCC1.
What is the InChIKey of 4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide?
The InChIKey is DGXILLGXSLIQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-10-9-14(13-16(17)20-11-5-6-12-20)18(21)19-15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,19,21).
What are the key properties of 4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide?
4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-phenyl-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 168511942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).