N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide

C23H24ClN5O2 — CID 75118726

IUPACN-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1NNNC1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H24ClN5O2/c24-18-8-6-16(7-9-18)14-25-23(30)21-22(28-29-27-21)26-19-10-12-20(13-11-19)31-15-17-4-2-1-3-5-17/h1-13,21-22,26-29H,14-15H2,(H,25,30)
InChIKeyXSVYVZZTPPDRNO-UHFFFAOYSA-N
MW437.93 g/mol
LogP2.95
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide (PubChem CID 75118726) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide
PubChem CID75118726
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1NNNC1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H24ClN5O2/c24-18-8-6-16(7-9-18)14-25-23(30)21-22(28-29-27-21)26-19-10-12-20(13-11-19)31-15-17-4-2-1-3-5-17/h1-13,21-22,26-29H,14-15H2,(H,25,30)
InChIKeyXSVYVZZTPPDRNO-UHFFFAOYSA-N
XLogP2.95
TPSA86.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 52.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-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

N-(1,3-benzodioxol-5-ylmethyl)-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide
CID 75271855
5-(4-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]triazolidine-4-carboxamide
CID 75584040
5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide
CID 133269294
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
5-(furan-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75354981
(E)-N-benzyl-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
CID 21207083
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide (CID 75118726) is N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1NNNC1Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide?
The InChIKey is XSVYVZZTPPDRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-18-8-6-16(7-9-18)14-25-23(30)21-22(28-29-27-21)26-19-10-12-20(13-11-19)31-15-17-4-2-1-3-5-17/h1-13,21-22,26-29H,14-15H2,(H,25,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 2.95, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide is sourced from PubChem (CID 75118726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).