4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide

C20H23FN4O2 — CID 129369399

IUPAC4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H23FN4O2/c1-22-19(26)15-2-6-17(7-3-15)24-20(27)23-12-14-10-11-25(13-14)18-8-4-16(21)5-9-18/h2-9,14H,10-13H2,1H3,(H,22,26)(H2,23,24,27)/t14-/m1/s1
InChIKeyTUOUXHGEOPAPDG-CQSZACIVSA-N
MW370.43 g/mol
LogP2.83
Rot. Bonds5

About 4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide

4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide (PubChem CID 129369399) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide
PubChem CID129369399
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H23FN4O2/c1-22-19(26)15-2-6-17(7-3-15)24-20(27)23-12-14-10-11-25(13-14)18-8-4-16(21)5-9-18/h2-9,14H,10-13H2,1H3,(H,22,26)(H2,23,24,27)/t14-/m1/s1
InChIKeyTUOUXHGEOPAPDG-CQSZACIVSA-N
XLogP2.83
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide
CID 126809247
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 126797189
N-ethyl-4-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-3-methylbenzamide
CID 129369404
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618670
1-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(4-methoxybutyl)urea
CID 95156016
1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089
1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94197353
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 51093269
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
1-(3,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 3687659

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide?
The IUPAC name of 4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide (CID 129369399) is 4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide?
The InChIKey is TUOUXHGEOPAPDG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-22-19(26)15-2-6-17(7-3-15)24-20(27)23-12-14-10-11-25(13-14)18-8-4-16(21)5-9-18/h2-9,14H,10-13H2,1H3,(H,22,26)(H2,23,24,27)/t14-/m1/s1.
What are the key properties of 4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide?
4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 129369399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).