2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide

C19H21ClN2O2 — CID 113171868

IUPAC2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1)c1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClN2O2/c1-14-8-9-17(20)12-18(14)22(15(2)23)13-19(24)21-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyOVQMKYIXFCSRTN-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.36
Rot. Bonds6

About 2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide

2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide (PubChem CID 113171868) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
PubChem CID113171868
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1)c1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClN2O2/c1-14-8-9-17(20)12-18(14)22(15(2)23)13-19(24)21-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyOVQMKYIXFCSRTN-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
CID 113172202
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171880
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113171858
2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide
CID 113171855
2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113171850
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 3700532
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113175030
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113171882
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide (CID 113171868) is 2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide is CC(=O)N(CC(=O)NCCc1ccccc1)c1cc(Cl)ccc1C.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is OVQMKYIXFCSRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-8-9-17(20)12-18(14)22(15(2)23)13-19(24)21-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide?
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 113171868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).