1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea

C18H19ClN4O3 — CID 163994451

IUPAC1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea
SMILESCOc1ccc([C@@H]2CNC(=O)[C@H]2NNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN4O3/c1-26-14-8-2-11(3-9-14)15-10-20-17(24)16(15)22-23-18(25)21-13-6-4-12(19)5-7-13/h2-9,15-16,22H,10H2,1H3,(H,20,24)(H2,21,23,25)/t15-,16-/m0/s1
InChIKeyUDMBTWPDLJPPGZ-HOTGVXAUSA-N
MW374.83 g/mol
LogP2.26
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea

1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea (PubChem CID 163994451) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea
PubChem CID163994451
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea
SMILESCOc1ccc([C@@H]2CNC(=O)[C@H]2NNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN4O3/c1-26-14-8-2-11(3-9-14)15-10-20-17(24)16(15)22-23-18(25)21-13-6-4-12(19)5-7-13/h2-9,15-16,22H,10H2,1H3,(H,20,24)(H2,21,23,25)/t15-,16-/m0/s1
InChIKeyUDMBTWPDLJPPGZ-HOTGVXAUSA-N
XLogP2.26
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 134255085
1-(3,4-difluorophenyl)-3-[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 122583121
1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347434
1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 159900730
1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)urea
CID 122582962
1-(4-chlorophenyl)-3-[(3S,4R)-1-(2-hydroxyethyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 157305390
1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139475787
1-[(3R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 126669211
1-[(4S)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 118132943
1-[(3R,4R)-1,3-bis(4-methoxyphenyl)piperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139466768
1-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-methoxyphenyl)thiourea
CID 998858
4-[[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]benzoic acid
CID 122583028

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea (CID 163994451) is 1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea is COc1ccc([C@@H]2CNC(=O)[C@H]2NNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea?
The InChIKey is UDMBTWPDLJPPGZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-26-14-8-2-11(3-9-14)15-10-20-17(24)16(15)22-23-18(25)21-13-6-4-12(19)5-7-13/h2-9,15-16,22H,10H2,1H3,(H,20,24)(H2,21,23,25)/t15-,16-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea?
1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea has a molecular weight of 374.83 g/mol, XLogP of 2.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[(3S,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]urea is sourced from PubChem (CID 163994451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).