N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide

C19H23ClN2O2 — CID 54823958

IUPACN-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1cccc(OCC(C)C)c1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)12-24-16-7-4-6-15(10-16)21-11-19(23)22-18-9-5-8-17(20)14(18)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyMXFSJOFAYOZIKM-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.73
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide

N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide (PubChem CID 54823958) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
PubChem CID54823958
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1cccc(OCC(C)C)c1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)12-24-16-7-4-6-15(10-16)21-11-19(23)22-18-9-5-8-17(20)14(18)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyMXFSJOFAYOZIKM-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823522
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825731
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825073
2-(3-chloro-2-methylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54812960
2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54819041
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
N-(3-chloro-2-methylphenyl)-2-(3-cyclopentyloxyanilino)acetamide
CID 37231284
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide (CID 54823958) is N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide is Cc1c(Cl)cccc1NC(=O)CNc1cccc(OCC(C)C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide?
The InChIKey is MXFSJOFAYOZIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(2)12-24-16-7-4-6-15(10-16)21-11-19(23)22-18-9-5-8-17(20)14(18)3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide has a molecular weight of 346.86 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide is sourced from PubChem (CID 54823958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).