2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide

C19H21ClN2O2 — CID 113171855

IUPAC2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NC(C)c1ccccc1)c1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-9-10-17(20)11-18(13)22(15(3)23)12-19(24)21-14(2)16-7-5-4-6-8-16/h4-11,14H,12H2,1-3H3,(H,21,24)
InChIKeyDZDSRLWHRODIAV-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.88
Rot. Bonds5

About 2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide

2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 113171855) 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-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide
PubChem CID113171855
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NC(C)c1ccccc1)c1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-9-10-17(20)11-18(13)22(15(3)23)12-19(24)21-14(2)16-7-5-4-6-8-16/h4-11,14H,12H2,1-3H3,(H,21,24)
InChIKeyDZDSRLWHRODIAV-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,3-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113180102
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113179432
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100695625
2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide
CID 113179672
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
2-(N-acetyl-2,5-dimethoxyanilino)-N-(1-phenylethyl)acetamide
CID 113174532
3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide
CID 109020148
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113168161
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2430647

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide (CID 113171855) is 2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide is CC(=O)N(CC(=O)NC(C)c1ccccc1)c1cc(Cl)ccc1C.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is DZDSRLWHRODIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-9-10-17(20)11-18(13)22(15(3)23)12-19(24)21-14(2)16-7-5-4-6-8-16/h4-11,14H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide?
2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.88, 5 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 113171855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).