1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea

C16H22ClN3O2 — CID 42395409

IUPAC1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C16H22ClN3O2/c1-11(2)18-16(22)19-14-9-15(21)20(10-14)7-6-12-4-3-5-13(17)8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H2,18,19,22)/t14-/m0/s1
InChIKeyCCLZWFSWVQFOSI-AWEZNQCLSA-N
MW323.82 g/mol
LogP2.19
Rot. Bonds5

About 1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea

1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea (PubChem CID 42395409) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
PubChem CID42395409
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C16H22ClN3O2/c1-11(2)18-16(22)19-14-9-15(21)20(10-14)7-6-12-4-3-5-13(17)8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H2,18,19,22)/t14-/m0/s1
InChIKeyCCLZWFSWVQFOSI-AWEZNQCLSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 42567385
N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25378968
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 26329415
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]but-2-ynamide
CID 26315273
1-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-thiophen-2-ylurea
CID 42464310
N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 45215931
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 42377030
1-[2-(3-chlorophenyl)ethyl]-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185813
N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 45177198
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 42384857
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(cyclopropylmethylamino)pyrrolidin-2-one
CID 26406990

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea (CID 42395409) is 1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)N[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea?
The InChIKey is CCLZWFSWVQFOSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11(2)18-16(22)19-14-9-15(21)20(10-14)7-6-12-4-3-5-13(17)8-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H2,18,19,22)/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea?
1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea has a molecular weight of 323.82 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 42395409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).