N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide

C17H17ClN2O3 — CID 112997910

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c18-13-6-8-14(9-7-13)20-17(22)12-19-16(21)10-11-23-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyRHRDUTQGMIDBOP-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.86
Rot. Bonds7

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

N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide (PubChem CID 112997910) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
PubChem CID112997910
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c18-13-6-8-14(9-7-13)20-17(22)12-19-16(21)10-11-23-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyRHRDUTQGMIDBOP-UHFFFAOYSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(2-phenoxyethylamino)acetamide
CID 60647399
2-[3-(4-chlorophenoxy)propanoylamino]acetic acid
CID 82042352
N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
CID 110601077
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
CID 108802931
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide
CID 112999420
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112998279
N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide
CID 112990545

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide (CID 112997910) is N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide?
The InChIKey is RHRDUTQGMIDBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-13-6-8-14(9-7-13)20-17(22)12-19-16(21)10-11-23-15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide has a molecular weight of 332.79 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide is sourced from PubChem (CID 112997910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).