N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide

C27H30Cl2N4O2 — CID 57399969

IUPACN-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)N1CC(OC(c2ccc(Cl)cc2)c2cccnc2Cl)C1
InChIInChI=1S/C27H30Cl2N4O2/c1-31(2)15-16-32(17-20-7-4-3-5-8-20)27(34)33-18-23(19-33)35-25(21-10-12-22(28)13-11-21)24-9-6-14-30-26(24)29/h3-14,23,25H,15-19H2,1-2H3
InChIKeyWEURIKGHASMEEJ-UHFFFAOYSA-N
MW513.47 g/mol
LogP5.36
Rot. Bonds9

About N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide

N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide (PubChem CID 57399969) has the molecular formula C27H30Cl2N4O2 and a molecular weight of 513.47 g/mol. Its IUPAC name is N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide
PubChem CID57399969
Molecular FormulaC27H30Cl2N4O2
Molecular Weight513.47 g/mol
Exact Mass512.17
IUPAC NameN-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)N1CC(OC(c2ccc(Cl)cc2)c2cccnc2Cl)C1
InChIInChI=1S/C27H30Cl2N4O2/c1-31(2)15-16-32(17-20-7-4-3-5-8-20)27(34)33-18-23(19-33)35-25(21-10-12-22(28)13-11-21)24-9-6-14-30-26(24)29/h3-14,23,25H,15-19H2,1-2H3
InChIKeyWEURIKGHASMEEJ-UHFFFAOYSA-N
XLogP5.36
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide 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-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 57401755
3-[(1-benzhydrylazetidin-3-yl)oxy-(4-chlorophenyl)methyl]-2-chloropyridine
CID 86613745
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide
CID 11235898
2-chloro-3-[(4-chlorophenyl)-piperidin-4-yloxymethyl]pyridine
CID 102045849
2-chloro-3-[(4-chlorophenyl)-[(3R)-piperidin-3-yl]oxymethyl]pyridine
CID 102045851
N-tert-butyl-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 11235177
N-tert-butyl-3-[(R)-(4-chlorophenyl)-[2-(1,1-difluoroethyl)phenyl]methoxy]azetidine-1-carboxamide
CID 171493849
N-(benzenesulfonyl)-3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carboxamide
CID 68942165
tert-butyl 4-[3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]azetidine-1-carbonyl]-1,4-diazepane-1-carboxylate;3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-methyl-N-pentylazetidine-1-carboxamide
CID 158234864
N-benzyl-N-[2-(dimethylamino)ethyl]imidazole-1-carboxamide
CID 81257866
4-benzhydryloxy-1-methylpiperidine;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
CID 175299851
3-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-N-(3-ethoxypropyl)azetidine-1-carboxamide
CID 11166483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide?
The IUPAC name of N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide (CID 57399969) is N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide is CN(C)CCN(Cc1ccccc1)C(=O)N1CC(OC(c2ccc(Cl)cc2)c2cccnc2Cl)C1.
What is the InChIKey of N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide?
The InChIKey is WEURIKGHASMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2N4O2/c1-31(2)15-16-32(17-20-7-4-3-5-8-20)27(34)33-18-23(19-33)35-25(21-10-12-22(28)13-11-21)24-9-6-14-30-26(24)29/h3-14,23,25H,15-19H2,1-2H3.
What are the key properties of N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide?
N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide has a molecular weight of 513.47 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-[2-(dimethylamino)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 57399969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).