N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide

C19H20Cl2N2O2 — CID 113054765

IUPACN-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c1-14(24)23(13-16-4-2-3-5-18(16)21)11-10-22-19(25)12-15-6-8-17(20)9-7-15/h2-9H,10-13H2,1H3,(H,22,25)
InChIKeyCMULASRNUIWVIX-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.70
Rot. Bonds7

About N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide

N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 113054765) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID113054765
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c1-14(24)23(13-16-4-2-3-5-18(16)21)11-10-22-19(25)12-15-6-8-17(20)9-7-15/h2-9H,10-13H2,1H3,(H,22,25)
InChIKeyCMULASRNUIWVIX-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,2-dimethylpropanamide
CID 113054741
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 113054821
tert-butyl N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]carbamate
CID 113054791
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113054757
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113058887
N-[(2-chlorophenyl)methyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113054795
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 113162526
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113054788
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-[2-(N-acetyl-2-cyanoanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064122
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064446

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide (CID 113054765) is N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(Cl)cc1)Cc1ccccc1Cl.
What is the InChIKey of N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is CMULASRNUIWVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-14(24)23(13-16-4-2-3-5-18(16)21)11-10-22-19(25)12-15-6-8-17(20)9-7-15/h2-9H,10-13H2,1H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide?
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 379.29 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113054765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).