N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide

C17H16ClNO3 — CID 2931462

IUPACN-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO3/c1-11(20)13-5-3-7-15(9-13)19-17(21)12(2)22-16-8-4-6-14(18)10-16/h3-10,12H,1-2H3,(H,19,21)
InChIKeyPBCIZQNIWDKCKR-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.95
Rot. Bonds5

About N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide

N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 2931462) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
PubChem CID2931462
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC NameN-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO3/c1-11(20)13-5-3-7-15(9-13)19-17(21)12(2)22-16-8-4-6-14(18)10-16/h3-10,12H,1-2H3,(H,19,21)
InChIKeyPBCIZQNIWDKCKR-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
CID 9497360
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864581
N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
CID 55610413
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide (CID 2931462) is N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide is CC(=O)c1cccc(NC(=O)C(C)Oc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is PBCIZQNIWDKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-11(20)13-5-3-7-15(9-13)19-17(21)12(2)22-16-8-4-6-14(18)10-16/h3-10,12H,1-2H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide?
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 317.77 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 2931462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).