4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide

C21H25FN4O2 — CID 126809247

IUPAC4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)NCC2CCN(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H25FN4O2/c1-25(2)20(27)16-3-7-18(8-4-16)24-21(28)23-13-15-11-12-26(14-15)19-9-5-17(22)6-10-19/h3-10,15H,11-14H2,1-2H3,(H2,23,24,28)
InChIKeyNDJBUCOIZGQZRK-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.18
Rot. Bonds5

About 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide

4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide (PubChem CID 126809247) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide
PubChem CID126809247
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)NCC2CCN(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H25FN4O2/c1-25(2)20(27)16-3-7-18(8-4-16)24-21(28)23-13-15-11-12-26(14-15)19-9-5-17(22)6-10-19/h3-10,15H,11-14H2,1-2H3,(H2,23,24,28)
InChIKeyNDJBUCOIZGQZRK-UHFFFAOYSA-N
XLogP3.18
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide
CID 129369399
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-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
3,3,3-trifluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 122132458
1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 51093269
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
1-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(4-methoxybutyl)urea
CID 95156016
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 51125795
1-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 52535068

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide (CID 126809247) is 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)NCC2CCN(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide?
The InChIKey is NDJBUCOIZGQZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-25(2)20(27)16-3-7-18(8-4-16)24-21(28)23-13-15-11-12-26(14-15)19-9-5-17(22)6-10-19/h3-10,15H,11-14H2,1-2H3,(H2,23,24,28).
What are the key properties of 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide?
4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 126809247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).