2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide

C19H21ClN2O3 — CID 54780661

IUPAC2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide
SMILESCNC(=O)CCc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(25-17-6-4-3-5-16(17)20)19(24)22-15-10-7-14(8-11-15)9-12-18(23)21-2/h3-8,10-11,13H,9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDZKYVTOGBCSPRP-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.42
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide

2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide (PubChem CID 54780661) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide
PubChem CID54780661
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide
SMILESCNC(=O)CCc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(25-17-6-4-3-5-16(17)20)19(24)22-15-10-7-14(8-11-15)9-12-18(23)21-2/h3-8,10-11,13H,9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDZKYVTOGBCSPRP-UHFFFAOYSA-N
XLogP3.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide
CID 54780693
2-phenylethyl 4-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-4-oxobutanoate
CID 43887770
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide
CID 43888076
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 43887894
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887713
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide (CID 54780661) is 2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide is CNC(=O)CCc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide?
The InChIKey is DZKYVTOGBCSPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(25-17-6-4-3-5-16(17)20)19(24)22-15-10-7-14(8-11-15)9-12-18(23)21-2/h3-8,10-11,13H,9,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide has a molecular weight of 360.84 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide is sourced from PubChem (CID 54780661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).