(3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone

C25H34ClN3O2 — CID 143664711

IUPAC(3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone
SMILESCCCN(CC)CCNCc1ccc(C2CCCN2C(=O)c2ccc(O)c(Cl)c2)cc1
InChIInChI=1S/C25H34ClN3O2/c1-3-14-28(4-2)16-13-27-18-19-7-9-20(10-8-19)23-6-5-15-29(23)25(31)21-11-12-24(30)22(26)17-21/h7-12,17,23,27,30H,3-6,13-16,18H2,1-2H3
InChIKeyVEVSXDIKHLNVBT-UHFFFAOYSA-N
MW444.02 g/mol
LogP4.84
Rot. Bonds10

About (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone

(3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone (PubChem CID 143664711) has the molecular formula C25H34ClN3O2 and a molecular weight of 444.02 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone
PubChem CID143664711
Molecular FormulaC25H34ClN3O2
Molecular Weight444.02 g/mol
Exact Mass443.23
IUPAC Name(3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone
SMILESCCCN(CC)CCNCc1ccc(C2CCCN2C(=O)c2ccc(O)c(Cl)c2)cc1
InChIInChI=1S/C25H34ClN3O2/c1-3-14-28(4-2)16-13-27-18-19-7-9-20(10-8-19)23-6-5-15-29(23)25(31)21-11-12-24(30)22(26)17-21/h7-12,17,23,27,30H,3-6,13-16,18H2,1-2H3
InChIKeyVEVSXDIKHLNVBT-UHFFFAOYSA-N
XLogP4.84
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.02
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 42938983
(5-chloro-2,4-dihydroxyphenyl)-[2-[4-[(cyclopropylmethylamino)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 71096098
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
[4-(diethylaminomethyl)phenyl]-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55667905
(5-chloro-2,4-dihydroxyphenyl)-[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 71096010
1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 79549622
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-chloro-4-hydroxyphenyl)methanone
CID 43422703
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 42953210
(3,4-dihydroxyphenyl)-[2-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 143664610
2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46637688
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220
[4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methylurea
CID 42938821

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone (CID 143664711) is (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone is CCCN(CC)CCNCc1ccc(C2CCCN2C(=O)c2ccc(O)c(Cl)c2)cc1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone?
The InChIKey is VEVSXDIKHLNVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O2/c1-3-14-28(4-2)16-13-27-18-19-7-9-20(10-8-19)23-6-5-15-29(23)25(31)21-11-12-24(30)22(26)17-21/h7-12,17,23,27,30H,3-6,13-16,18H2,1-2H3.
What are the key properties of (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone?
(3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone has a molecular weight of 444.02 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-[2-[4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 143664711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).