N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide

C19H21ClFN3O3 — CID 60522144

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
SMILESCC(C)NC(=O)N(C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClFN3O3/c1-12(2)22-19(26)24(3)14-5-7-15(8-6-14)27-11-18(25)23-13-4-9-17(21)16(20)10-13/h4-10,12H,11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyFHTDGBIBUMEAPV-UHFFFAOYSA-N
MW393.85 g/mol
LogP4.05
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide (PubChem CID 60522144) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
PubChem CID60522144
Molecular FormulaC19H21ClFN3O3
Molecular Weight393.85 g/mol
Exact Mass393.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
SMILESCC(C)NC(=O)N(C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClFN3O3/c1-12(2)22-19(26)24(3)14-5-7-15(8-6-14)27-11-18(25)23-13-4-9-17(21)16(20)10-13/h4-10,12H,11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyFHTDGBIBUMEAPV-UHFFFAOYSA-N
XLogP4.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 55864863
N-[(4-chlorophenyl)methyl]-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 55864990
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
CID 2215496
N-(3-methylbutan-2-yl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 47059923
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31654142
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide (CID 60522144) is N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide is CC(C)NC(=O)N(C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
The InChIKey is FHTDGBIBUMEAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c1-12(2)22-19(26)24(3)14-5-7-15(8-6-14)27-11-18(25)23-13-4-9-17(21)16(20)10-13/h4-10,12H,11H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide has a molecular weight of 393.85 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide is sourced from PubChem (CID 60522144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).