N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide

C18H19ClN2O3 — CID 134019227

IUPACN-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)Oc2cccc(Cl)c2)c1C
InChIInChI=1S/C18H19ClN2O3/c1-11-16(20-13(3)22)8-5-9-17(11)21-18(23)12(2)24-15-7-4-6-14(19)10-15/h4-10,12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyCQIFVUZIQRBABV-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.01
Rot. Bonds5

About N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide

N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 134019227) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
PubChem CID134019227
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)Oc2cccc(Cl)c2)c1C
InChIInChI=1S/C18H19ClN2O3/c1-11-16(20-13(3)22)8-5-9-17(11)21-18(23)12(2)24-15-7-4-6-14(19)10-15/h4-10,12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyCQIFVUZIQRBABV-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 134019274
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982
(2R)-2-(3-chlorophenoxy)-N-naphthalen-1-ylpropanamide
CID 966274
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide (CID 134019227) is N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide is CC(=O)Nc1cccc(NC(=O)C(C)Oc2cccc(Cl)c2)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is CQIFVUZIQRBABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-16(20-13(3)22)8-5-9-17(11)21-18(23)12(2)24-15-7-4-6-14(19)10-15/h4-10,12H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide?
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 346.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 134019227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).