N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide

C20H23ClN2O4 — CID 38624172

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide
SMILESCOc1ccc(OCCCC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O4/c1-23(14-19(24)22-16-6-3-5-15(21)13-16)20(25)7-4-12-27-18-10-8-17(26-2)9-11-18/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,22,24)
InChIKeyQFOFZDTWHYOPKK-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.60
Rot. Bonds9

About N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide

N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide (PubChem CID 38624172) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide
PubChem CID38624172
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide
SMILESCOc1ccc(OCCCC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O4/c1-23(14-19(24)22-16-6-3-5-15(21)13-16)20(25)7-4-12-27-18-10-8-17(26-2)9-11-18/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,22,24)
InChIKeyQFOFZDTWHYOPKK-UHFFFAOYSA-N
XLogP3.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide
CID 38621423
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
CID 55637724
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
CID 7900115
N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 37128973
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7146984
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide (CID 38624172) is N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide is COc1ccc(OCCCC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide?
The InChIKey is QFOFZDTWHYOPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-23(14-19(24)22-16-6-3-5-15(21)13-16)20(25)7-4-12-27-18-10-8-17(26-2)9-11-18/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide has a molecular weight of 390.87 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide is sourced from PubChem (CID 38624172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).