[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone

C18H24ClN3O3 — CID 119415519

IUPAC[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)N1CCCNCC1
InChIInChI=1S/C18H24ClN3O3/c1-25-16-6-5-13(19)12-14(16)17(23)22-10-2-4-15(22)18(24)21-9-3-7-20-8-11-21/h5-6,12,15,20H,2-4,7-11H2,1H3
InChIKeyRHYIUYCTRUECBB-UHFFFAOYSA-N
MW365.86 g/mol
LogP1.78
Rot. Bonds3

About [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone

[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone (PubChem CID 119415519) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone
PubChem CID119415519
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)N1CCCNCC1
InChIInChI=1S/C18H24ClN3O3/c1-25-16-6-5-13(19)12-14(16)17(23)22-10-2-4-15(22)18(24)21-9-3-7-20-8-11-21/h5-6,12,15,20H,2-4,7-11H2,1H3
InChIKeyRHYIUYCTRUECBB-UHFFFAOYSA-N
XLogP1.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561047
(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119378579
[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone
CID 95279808
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859316
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 55625538
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843
(5-chloro-2-methoxyphenyl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95336594
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 95282111

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone?
The IUPAC name of [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone (CID 119415519) is [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone?
The canonical SMILES for [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone is COc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)N1CCCNCC1.
What is the InChIKey of [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone?
The InChIKey is RHYIUYCTRUECBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-25-16-6-5-13(19)12-14(16)17(23)22-10-2-4-15(22)18(24)21-9-3-7-20-8-11-21/h5-6,12,15,20H,2-4,7-11H2,1H3.
What are the key properties of [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone?
[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone has a molecular weight of 365.86 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 119415519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).