N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide

C19H20ClF2N3O3 — CID 56557227

IUPACN-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide
SMILESCCC(NC(=O)Nc1ccc(NC(C)=O)cc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C19H20ClF2N3O3/c1-3-15(13-6-4-5-7-17(13)28-18(21)22)24-19(27)25-16-9-8-12(10-14(16)20)23-11(2)26/h4-10,15,18H,3H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyOEXNTJZABMZVBE-UHFFFAOYSA-N
MW411.84 g/mol
LogP5.17
Rot. Bonds7

About N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide

N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide (PubChem CID 56557227) has the molecular formula C19H20ClF2N3O3 and a molecular weight of 411.84 g/mol. Its IUPAC name is N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide
PubChem CID56557227
Molecular FormulaC19H20ClF2N3O3
Molecular Weight411.84 g/mol
Exact Mass411.12
IUPAC NameN-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide
SMILESCCC(NC(=O)Nc1ccc(NC(C)=O)cc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C19H20ClF2N3O3/c1-3-15(13-6-4-5-7-17(13)28-18(21)22)24-19(27)25-16-9-8-12(10-14(16)20)23-11(2)26/h4-10,15,18H,3H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyOEXNTJZABMZVBE-UHFFFAOYSA-N
XLogP5.17
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.84
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]benzamide
CID 42959688
1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea
CID 55696855
2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 17129881
3-acetamido-3-[2-(difluoromethoxy)phenyl]propanoic acid
CID 63651224
N-(4-acetamido-3-chlorophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 25470676
3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide
CID 55656426
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362
1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 24612567
N-[2-chloro-4-[[2-(difluoromethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
CID 3806370
1-[1-[2-(difluoromethoxy)phenyl]propyl]-3-[3-(oxan-2-ylmethoxymethyl)phenyl]urea
CID 55818929

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide (CID 56557227) is N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide is CCC(NC(=O)Nc1ccc(NC(C)=O)cc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide?
The InChIKey is OEXNTJZABMZVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O3/c1-3-15(13-6-4-5-7-17(13)28-18(21)22)24-19(27)25-16-9-8-12(10-14(16)20)23-11(2)26/h4-10,15,18H,3H2,1-2H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide?
N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide has a molecular weight of 411.84 g/mol, XLogP of 5.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 56557227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).