2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide

C20H22N4O3 — CID 7215092

IUPAC2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
SMILESCc1ccc(N2C[C@H](NC(=O)Nc3ccccc3C(N)=O)CC2=O)cc1C
InChIInChI=1S/C20H22N4O3/c1-12-7-8-15(9-13(12)2)24-11-14(10-18(24)25)22-20(27)23-17-6-4-3-5-16(17)19(21)26/h3-9,14H,10-11H2,1-2H3,(H2,21,26)(H2,22,23,27)/t14-/m1/s1
InChIKeyFUSDVAWJABYWOT-CQSZACIVSA-N
MW366.42 g/mol
LogP2.33
Rot. Bonds4

About 2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide

2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide (PubChem CID 7215092) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide.

Molecular Properties

Compound Name2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
PubChem CID7215092
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
SMILESCc1ccc(N2C[C@H](NC(=O)Nc3ccccc3C(N)=O)CC2=O)cc1C
InChIInChI=1S/C20H22N4O3/c1-12-7-8-15(9-13(12)2)24-11-14(10-18(24)25)22-20(27)23-17-6-4-3-5-16(17)19(21)26/h3-9,14H,10-11H2,1-2H3,(H2,21,26)(H2,22,23,27)/t14-/m1/s1
InChIKeyFUSDVAWJABYWOT-CQSZACIVSA-N
XLogP2.33
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 126456615
N-(2-carbamoylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082354
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methylphenyl)urea
CID 7552485
1-(4-anilinophenyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969649
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 7543680
1-(4-bromophenyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543479
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(6-methyl-2-pyridinyl)urea
CID 43969641
methyl N-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]carbamate
CID 7543831
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
1-benzhydryl-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543330
1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513500

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The IUPAC name of 2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide (CID 7215092) is 2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide.
What is the SMILES notation for 2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The canonical SMILES for 2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide is Cc1ccc(N2C[C@H](NC(=O)Nc3ccccc3C(N)=O)CC2=O)cc1C.
What is the InChIKey of 2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The InChIKey is FUSDVAWJABYWOT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-7-8-15(9-13(12)2)24-11-14(10-18(24)25)22-20(27)23-17-6-4-3-5-16(17)19(21)26/h3-9,14H,10-11H2,1-2H3,(H2,21,26)(H2,22,23,27)/t14-/m1/s1.
What are the key properties of 2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide is sourced from PubChem (CID 7215092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).