N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide

C20H23ClN2O2 — CID 113059742

IUPACN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)c1cccc(Cl)c1C
InChIInChI=1S/C20H23ClN2O2/c1-15-18(21)9-6-10-19(15)23(16(2)24)14-13-22-20(25)12-11-17-7-4-3-5-8-17/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyYLZGYEDIRDRKSS-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide

N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide (PubChem CID 113059742) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
PubChem CID113059742
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide
SMILESCC(=O)N(CCNC(=O)CCc1ccccc1)c1cccc(Cl)c1C
InChIInChI=1S/C20H23ClN2O2/c1-15-18(21)9-6-10-19(15)23(16(2)24)14-13-22-20(25)12-11-17-7-4-3-5-8-17/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyYLZGYEDIRDRKSS-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
CID 113059745
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113127554
N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113059789
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
CID 113059716
2-(N-acetyl-3-chloro-2-methylanilino)-N-benzylacetamide
CID 113171684
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
tert-butyl N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]carbamate
CID 113059766
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113059769
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
CID 113058709
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
CID 113061754

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide (CID 113059742) is N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide is CC(=O)N(CCNC(=O)CCc1ccccc1)c1cccc(Cl)c1C.
What is the InChIKey of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide?
The InChIKey is YLZGYEDIRDRKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15-18(21)9-6-10-19(15)23(16(2)24)14-13-22-20(25)12-11-17-7-4-3-5-8-17/h3-10H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide?
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide has a molecular weight of 358.87 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113059742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).