2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate

C24H24ClN3O3 — CID 158851099

IUPAC2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate
SMILESCN(CCOC(=O)Cc1ccc(-c2ccccc2)cn1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C24H24ClN3O3/c1-28(24(30)27-17-20-9-5-6-10-22(20)25)13-14-31-23(29)15-21-12-11-19(16-26-21)18-7-3-2-4-8-18/h2-12,16H,13-15,17H2,1H3,(H,27,30)
InChIKeyIZLNVFSRYOBEHV-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.33
Rot. Bonds8

About 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate

2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate (PubChem CID 158851099) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate
PubChem CID158851099
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate
SMILESCN(CCOC(=O)Cc1ccc(-c2ccccc2)cn1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C24H24ClN3O3/c1-28(24(30)27-17-20-9-5-6-10-22(20)25)13-14-31-23(29)15-21-12-11-19(16-26-21)18-7-3-2-4-8-18/h2-12,16H,13-15,17H2,1H3,(H,27,30)
InChIKeyIZLNVFSRYOBEHV-UHFFFAOYSA-N
XLogP4.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate 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

2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate
CID 59778513
[(2S)-2-[(2-chlorophenyl)methylcarbamoyl-methylamino]-4-hydroxybutyl] 2-isoquinolin-3-ylacetate
CID 157275661
3-[(2-methoxyphenyl)methyl]-1-methyl-1-(2-phenoxyethyl)urea
CID 38147914
3-[(2-chlorophenyl)methyl]-1,1-diphenylurea
CID 134110940
N-[(2-chlorophenyl)methyl]-2-(4-phenylphenoxy)propanamide
CID 17194172
3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
CID 108897659
[(1S)-3-[(2-chlorophenyl)methylcarbamoyl-methylamino]-1-hydroxypropyl] N-isoquinolin-3-ylcarbamate
CID 140542348
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
2-chloro-3-[[[2-[(6-fluoroisoquinolin-3-yl)carbamoyloxy]ethyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 67607180

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate?
The IUPAC name of 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate (CID 158851099) is 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate.
What is the SMILES notation for 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate?
The canonical SMILES for 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate is CN(CCOC(=O)Cc1ccc(-c2ccccc2)cn1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate?
The InChIKey is IZLNVFSRYOBEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-28(24(30)27-17-20-9-5-6-10-22(20)25)13-14-31-23(29)15-21-12-11-19(16-26-21)18-7-3-2-4-8-18/h2-12,16H,13-15,17H2,1H3,(H,27,30).
What are the key properties of 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate?
2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate has a molecular weight of 437.93 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate is sourced from PubChem (CID 158851099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).