N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide

C19H21ClN2O3 — CID 54777100

IUPACN-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1C
InChIInChI=1S/C19H21ClN2O3/c1-11-5-6-15(9-17(11)21-14(4)23)22-18(24)10-25-16-7-12(2)19(20)13(3)8-16/h5-9H,10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKSABYDSBUHLFFM-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.24
Rot. Bonds5

About N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide

N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide (PubChem CID 54777100) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
PubChem CID54777100
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1C
InChIInChI=1S/C19H21ClN2O3/c1-11-5-6-15(9-17(11)21-14(4)23)22-18(24)10-25-16-7-12(2)19(20)13(3)8-16/h5-9H,10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyKSABYDSBUHLFFM-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 54777061
N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 54777087
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
CID 17296544
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
N-(3-acetamido-4-methylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54777114
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide
CID 40617668
2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119773
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide (CID 54777100) is N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide is CC(=O)Nc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is KSABYDSBUHLFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-11-5-6-15(9-17(11)21-14(4)23)22-18(24)10-25-16-7-12(2)19(20)13(3)8-16/h5-9H,10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 360.84 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 54777100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).