N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide

C19H21F2N3O3 — CID 86987896

IUPACN-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C19H21F2N3O3/c1-12(2)17(25)23-14-7-9-15(10-8-14)24-19(26)22-11-13-5-3-4-6-16(13)27-18(20)21/h3-10,12,18H,11H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyVSTHPTSTSRQXEK-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.20
Rot. Bonds7

About N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide

N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide (PubChem CID 86987896) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
PubChem CID86987896
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC NameN-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C19H21F2N3O3/c1-12(2)17(25)23-14-7-9-15(10-8-14)24-19(26)22-11-13-5-3-4-6-16(13)27-18(20)21/h3-10,12,18H,11H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyVSTHPTSTSRQXEK-UHFFFAOYSA-N
XLogP4.20
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea
CID 74225609
1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 24612567
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
CID 78833839
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803
1-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 47085091
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-sulfamoylpropyl)urea
CID 131961772
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]urea
CID 47033178
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide (CID 86987896) is N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1.
What is the InChIKey of N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide?
The InChIKey is VSTHPTSTSRQXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-12(2)17(25)23-14-7-9-15(10-8-14)24-19(26)22-11-13-5-3-4-6-16(13)27-18(20)21/h3-10,12,18H,11H2,1-2H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide?
N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide has a molecular weight of 377.39 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 86987896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).