2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide

C19H22ClN3O2 — CID 36853201

IUPAC2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide
SMILESCCN(Cc1cccc(NCC(=O)Nc2ccccc2Cl)c1)C(C)=O
InChIInChI=1S/C19H22ClN3O2/c1-3-23(14(2)24)13-15-7-6-8-16(11-15)21-12-19(25)22-18-10-5-4-9-17(18)20/h4-11,21H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyNFVYUYAFARSUGI-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.76
Rot. Bonds7

About 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide

2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide (PubChem CID 36853201) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide
PubChem CID36853201
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide
SMILESCCN(Cc1cccc(NCC(=O)Nc2ccccc2Cl)c1)C(C)=O
InChIInChI=1S/C19H22ClN3O2/c1-3-23(14(2)24)13-15-7-6-8-16(11-15)21-12-19(25)22-18-10-5-4-9-17(18)20/h4-11,21H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyNFVYUYAFARSUGI-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide
CID 36853264
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide
CID 36853212
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
CID 36853289
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838651
N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825963
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)acetamide
CID 26417607
[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 9036580
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837432
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113161666
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
CID 60511474
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 38808969

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide (CID 36853201) is 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide is CCN(Cc1cccc(NCC(=O)Nc2ccccc2Cl)c1)C(C)=O.
What is the InChIKey of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide?
The InChIKey is NFVYUYAFARSUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-23(14(2)24)13-15-7-6-8-16(11-15)21-12-19(25)22-18-10-5-4-9-17(18)20/h4-11,21H,3,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide?
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide has a molecular weight of 359.86 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 36853201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).