2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide

C20H23ClN4O2 — CID 136520779

IUPAC2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN4O2/c21-15-6-8-17(9-7-15)25-11-10-16(13-25)23-19(26)18(24-20(22)27)12-14-4-2-1-3-5-14/h1-9,16,18H,10-13H2,(H,23,26)(H3,22,24,27)
InChIKeyLYUIBAORCJLUEE-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.31
Rot. Bonds6

About 2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide

2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide (PubChem CID 136520779) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide
PubChem CID136520779
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN4O2/c21-15-6-8-17(9-7-15)25-11-10-16(13-25)23-19(26)18(24-20(22)27)12-14-4-2-1-3-5-14/h1-9,16,18H,10-13H2,(H,23,26)(H3,22,24,27)
InChIKeyLYUIBAORCJLUEE-UHFFFAOYSA-N
XLogP2.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
N-[2-[[2-(carbamoylamino)-3-phenylpropanoyl]amino]ethyl]-4-chlorobenzamide
CID 86921350
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
benzyl N-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 166203065
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
2-[[N'-benzyl-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049671
4-[[1-(4-chlorophenyl)pyrrolidin-3-yl]carbamoylamino]butanoic acid
CID 122009161
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
(2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide
CID 91780032
N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
CID 66854515
(1-phenylpiperidin-3-yl)urea
CID 121416777
1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106612

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide (CID 136520779) is 2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide is NC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide?
The InChIKey is LYUIBAORCJLUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-15-6-8-17(9-7-15)25-11-10-16(13-25)23-19(26)18(24-20(22)27)12-14-4-2-1-3-5-14/h1-9,16,18H,10-13H2,(H,23,26)(H3,22,24,27).
What are the key properties of 2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide?
2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide has a molecular weight of 386.88 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 136520779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).