4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide

C25H25N3O3 — CID 56548796

IUPAC4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccccc3N3CCCC3)cc2)cc1
InChIInChI=1S/C25H25N3O3/c26-24(29)18-7-11-21(12-8-18)31-22-13-9-19(10-14-22)25(30)27-17-20-5-1-2-6-23(20)28-15-3-4-16-28/h1-2,5-14H,3-4,15-17H2,(H2,26,29)(H,27,30)
InChIKeyYQRCSNIXVYSUAA-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.11
Rot. Bonds7

About 4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide

4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide (PubChem CID 56548796) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide
PubChem CID56548796
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccccc3N3CCCC3)cc2)cc1
InChIInChI=1S/C25H25N3O3/c26-24(29)18-7-11-21(12-8-18)31-22-13-9-19(10-14-22)25(30)27-17-20-5-1-2-6-23(20)28-15-3-4-16-28/h1-2,5-14H,3-4,15-17H2,(H2,26,29)(H,27,30)
InChIKeyYQRCSNIXVYSUAA-UHFFFAOYSA-N
XLogP4.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56545956
4-[(4-methoxyphenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985873
4-(cyclopropanecarbonylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55983758
4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518367
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 46977362
1-[(1-hydroxycyclopentyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 110013035
4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
CID 56546048
4-acetamido-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 47788856
4-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenoxy]benzamide
CID 56545380
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide (CID 56548796) is 4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NCc3ccccc3N3CCCC3)cc2)cc1.
What is the InChIKey of 4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide?
The InChIKey is YQRCSNIXVYSUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c26-24(29)18-7-11-21(12-8-18)31-22-13-9-19(10-14-22)25(30)27-17-20-5-1-2-6-23(20)28-15-3-4-16-28/h1-2,5-14H,3-4,15-17H2,(H2,26,29)(H,27,30).
What are the key properties of 4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide?
4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-pyrrolidin-1-ylphenyl)methylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).