1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea

C23H26ClN3O3 — CID 167966334

IUPAC1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea
SMILESCOc1cccc(C(NC(=O)NCC23CCCC2CC(=O)N3)c2ccccc2Cl)c1
InChIInChI=1S/C23H26ClN3O3/c1-30-17-8-4-6-15(12-17)21(18-9-2-3-10-19(18)24)26-22(29)25-14-23-11-5-7-16(23)13-20(28)27-23/h2-4,6,8-10,12,16,21H,5,7,11,13-14H2,1H3,(H,27,28)(H2,25,26,29)
InChIKeyPSYNREWLWMMRKQ-UHFFFAOYSA-N
MW427.93 g/mol
LogP3.80
Rot. Bonds6

About 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea

1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea (PubChem CID 167966334) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea
PubChem CID167966334
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea
SMILESCOc1cccc(C(NC(=O)NCC23CCCC2CC(=O)N3)c2ccccc2Cl)c1
InChIInChI=1S/C23H26ClN3O3/c1-30-17-8-4-6-15(12-17)21(18-9-2-3-10-19(18)24)26-22(29)25-14-23-11-5-7-16(23)13-20(28)27-23/h2-4,6,8-10,12,16,21H,5,7,11,13-14H2,1H3,(H,27,28)(H2,25,26,29)
InChIKeyPSYNREWLWMMRKQ-UHFFFAOYSA-N
XLogP3.80
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea with MolForge

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Related Compounds

4-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoylamino]butanoic acid
CID 122003514
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119801663
3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid
CID 122003516
N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide
CID 97341188
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 99714326
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517836
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809463
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methoxyphenyl)methyl]acetamide
CID 119812625
(2S,4S)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120631213
(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea (CID 167966334) is 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea is COc1cccc(C(NC(=O)NCC23CCCC2CC(=O)N3)c2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea?
The InChIKey is PSYNREWLWMMRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-30-17-8-4-6-15(12-17)21(18-9-2-3-10-19(18)24)26-22(29)25-14-23-11-5-7-16(23)13-20(28)27-23/h2-4,6,8-10,12,16,21H,5,7,11,13-14H2,1H3,(H,27,28)(H2,25,26,29).
What are the key properties of 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea?
1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea has a molecular weight of 427.93 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea is sourced from PubChem (CID 167966334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).