3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea

C19H28ClN3O2 — CID 7548497

IUPAC3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H28ClN3O2/c1-13(2)10-22(11-14(3)4)19(25)21-16-9-18(24)23(12-16)17-7-5-15(20)6-8-17/h5-8,13-14,16H,9-12H2,1-4H3,(H,21,25)/t16-/m1/s1
InChIKeyBXAKSAAKBDFRDK-MRXNPFEDSA-N
MW365.91 g/mol
LogP3.77
Rot. Bonds6

About 3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea

3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea (PubChem CID 7548497) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea
PubChem CID7548497
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H28ClN3O2/c1-13(2)10-22(11-14(3)4)19(25)21-16-9-18(24)23(12-16)17-7-5-15(20)6-8-17/h5-8,13-14,16H,9-12H2,1-4H3,(H,21,25)/t16-/m1/s1
InChIKeyBXAKSAAKBDFRDK-MRXNPFEDSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518
(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9391631
1-benzyl-3-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7215846
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
3-chloro-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43971221
3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7513595
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 43970467
1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
CID 43970459
1,1-bis(2-chloroethyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970247
3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,1-dipropylurea
CID 7547670
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide
CID 7548682
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-hydroxybutan-2-yl)urea
CID 43970430

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea (CID 7548497) is 3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea is CC(C)CN(CC(C)C)C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea?
The InChIKey is BXAKSAAKBDFRDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-13(2)10-22(11-14(3)4)19(25)21-16-9-18(24)23(12-16)17-7-5-15(20)6-8-17/h5-8,13-14,16H,9-12H2,1-4H3,(H,21,25)/t16-/m1/s1.
What are the key properties of 3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea?
3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea has a molecular weight of 365.91 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 7548497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).