N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide

C19H22ClN3O3 — CID 55864863

IUPACN-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
SMILESCC(C)NC(=O)N(C)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-13(2)21-19(25)23(3)14-8-10-15(11-9-14)26-12-18(24)22-17-7-5-4-6-16(17)20/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyUNCNNPAFPMFWPY-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.91
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide

N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide (PubChem CID 55864863) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
PubChem CID55864863
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
SMILESCC(C)NC(=O)N(C)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-13(2)21-19(25)23(3)14-8-10-15(11-9-14)26-12-18(24)22-17-7-5-4-6-16(17)20/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyUNCNNPAFPMFWPY-UHFFFAOYSA-N
XLogP3.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 60522144
N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 47059923
N-[(4-chlorophenyl)methyl]-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 55864990
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816
N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130762
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-(4-methoxyphenoxy)acetate
CID 55750862
N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 43504310
N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128451
[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] 2-naphthalen-2-yloxyacetate
CID 55750737

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide (CID 55864863) is N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide is CC(C)NC(=O)N(C)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
The InChIKey is UNCNNPAFPMFWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13(2)21-19(25)23(3)14-8-10-15(11-9-14)26-12-18(24)22-17-7-5-4-6-16(17)20/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide has a molecular weight of 375.86 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide is sourced from PubChem (CID 55864863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).