1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea

C15H18ClN3O2 — CID 110747933

IUPAC1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
SMILESO=C(NCC1CC(=O)N(C2CC2)C1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O2/c16-11-2-1-3-12(7-11)18-15(21)17-8-10-6-14(20)19(9-10)13-4-5-13/h1-3,7,10,13H,4-6,8-9H2,(H2,17,18,21)
InChIKeyBETLXRJFNQJAAL-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.47
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea

1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea (PubChem CID 110747933) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
PubChem CID110747933
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
SMILESO=C(NCC1CC(=O)N(C2CC2)C1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O2/c16-11-2-1-3-12(7-11)18-15(21)17-8-10-6-14(20)19(9-10)13-4-5-13/h1-3,7,10,13H,4-6,8-9H2,(H2,17,18,21)
InChIKeyBETLXRJFNQJAAL-UHFFFAOYSA-N
XLogP2.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 38887276
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CID 110413373
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea
CID 131892648
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CID 125137261
methyl 2-[4-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylcarbamoylamino]phenoxy]acetate
CID 125137260
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CID 110719965
1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea
CID 99793991
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CID 99820423
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110719902
1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea (CID 110747933) is 1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea is O=C(NCC1CC(=O)N(C2CC2)C1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea?
The InChIKey is BETLXRJFNQJAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-11-2-1-3-12(7-11)18-15(21)17-8-10-6-14(20)19(9-10)13-4-5-13/h1-3,7,10,13H,4-6,8-9H2,(H2,17,18,21).
What are the key properties of 1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea has a molecular weight of 307.78 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 110747933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).