4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide

C24H30FN3O2 — CID 58866595

IUPAC4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(COC4CCC4)cc3)c(F)c2)C1
InChIInChI=1S/C24H30FN3O2/c1-27(2)20-12-13-28(15-20)19-10-11-23(22(25)14-19)26-24(29)18-8-6-17(7-9-18)16-30-21-4-3-5-21/h6-11,14,20-21H,3-5,12-13,15-16H2,1-2H3,(H,26,29)
InChIKeySBWMAMMDACXXGU-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.29
Rot. Bonds7

About 4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide

4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide (PubChem CID 58866595) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide.

Molecular Properties

Compound Name4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide
PubChem CID58866595
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(COC4CCC4)cc3)c(F)c2)C1
InChIInChI=1S/C24H30FN3O2/c1-27(2)20-12-13-28(15-20)19-10-11-23(22(25)14-19)26-24(29)18-8-6-17(7-9-18)16-30-21-4-3-5-21/h6-11,14,20-21H,3-5,12-13,15-16H2,1-2H3,(H,26,29)
InChIKeySBWMAMMDACXXGU-UHFFFAOYSA-N
XLogP4.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[4-[(4-butoxybenzoyl)amino]-3-fluorophenyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 58867219
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
4-(cyclobutyloxymethyl)-N-(4-hydroxyphenyl)benzamide
CID 143182219
2-[(4-fluorobenzoyl)amino]-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95054138
1-[(3R)-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]-2-oxopiperidin-3-yl]-3-(2-fluorophenyl)urea
CID 154971473
4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867523
4-(1-acetylpyrrolidin-3-yl)oxy-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-3-fluorobenzamide
CID 58866718
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 174689316
4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867737
2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid
CID 50782697
5-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 95054136
5-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 95054137

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide?
The IUPAC name of 4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide (CID 58866595) is 4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide.
What is the SMILES notation for 4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide?
The canonical SMILES for 4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide is CN(C)C1CCN(c2ccc(NC(=O)c3ccc(COC4CCC4)cc3)c(F)c2)C1.
What is the InChIKey of 4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide?
The InChIKey is SBWMAMMDACXXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-27(2)20-12-13-28(15-20)19-10-11-23(22(25)14-19)26-24(29)18-8-6-17(7-9-18)16-30-21-4-3-5-21/h6-11,14,20-21H,3-5,12-13,15-16H2,1-2H3,(H,26,29).
What are the key properties of 4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide?
4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide has a molecular weight of 411.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide is sourced from PubChem (CID 58866595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).