2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide

C19H21ClN2O2 — CID 113171355

IUPAC2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCCCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-15(23)22(18-11-5-10-17(20)13-18)14-19(24)21-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,21,24)
InChIKeyLIGKESJLXQPIIM-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.44
Rot. Bonds7

About 2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide

2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide (PubChem CID 113171355) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
PubChem CID113171355
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)N(CC(=O)NCCCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-15(23)22(18-11-5-10-17(20)13-18)14-19(24)21-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,21,24)
InChIKeyLIGKESJLXQPIIM-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide
CID 113168307
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
CID 113172202
2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171290
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303
2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide
CID 113169640
2-(N,3-diacetylanilino)-N-pentylacetamide
CID 113175445
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide (CID 113171355) is 2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide is CC(=O)N(CC(=O)NCCCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide?
The InChIKey is LIGKESJLXQPIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-15(23)22(18-11-5-10-17(20)13-18)14-19(24)21-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide?
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 113171355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).