N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

C19H21Cl2N3O2 — CID 24609586

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-12-3-5-14(6-4-12)10-22-19(26)23-11-18(25)24-13(2)16-8-7-15(20)9-17(16)21/h3-9,13H,10-11H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyFCAAWIRTEUKAIZ-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.98
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (PubChem CID 24609586) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
PubChem CID24609586
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-12-3-5-14(6-4-12)10-22-19(26)23-11-18(25)24-13(2)16-8-7-15(20)9-17(16)21/h3-9,13H,10-11H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyFCAAWIRTEUKAIZ-UHFFFAOYSA-N
XLogP3.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide 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-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 26018842
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 25483366
N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 4828683
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 18168183
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 2506559
4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 78772937
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9441486
1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea
CID 46653640
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9441430
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 30725870
N-[1-(2,4-dichlorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55455394

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (CID 24609586) is N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is Cc1ccc(CNC(=O)NCC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The InChIKey is FCAAWIRTEUKAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-12-3-5-14(6-4-12)10-22-19(26)23-11-18(25)24-13(2)16-8-7-15(20)9-17(16)21/h3-9,13H,10-11H2,1-2H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide has a molecular weight of 394.30 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 24609586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).