N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide

C19H21ClN2O3 — CID 38300862

IUPACN-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1C
InChIInChI=1S/C19H21ClN2O3/c1-4-18(23)21-15-6-5-7-16(13(15)3)22-19(24)11-25-17-9-8-14(20)10-12(17)2/h5-10H,4,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGKFTTZJIWKRQNH-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.32
Rot. Bonds6

About N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide

N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 38300862) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID38300862
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1C
InChIInChI=1S/C19H21ClN2O3/c1-4-18(23)21-15-6-5-7-16(13(15)3)22-19(24)11-25-17-9-8-14(20)10-12(17)2/h5-10H,4,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGKFTTZJIWKRQNH-UHFFFAOYSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779559
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
N-[2-[[2-(2-chloro-6-fluorophenoxy)acetyl]amino]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 155923420
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761205
2-(4-chloro-2-methylphenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 17074239
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
CID 2208364

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide (CID 38300862) is N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2C)c1C.
What is the InChIKey of N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is GKFTTZJIWKRQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-4-18(23)21-15-6-5-7-16(13(15)3)22-19(24)11-25-17-9-8-14(20)10-12(17)2/h5-10H,4,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide?
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 360.84 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 38300862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).