N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide

C20H23F2N3O3 — CID 51255380

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H23F2N3O3/c1-13(2)23-20(27)24-17-7-5-4-6-16(17)18(26)25(3)12-14-8-10-15(11-9-14)28-19(21)22/h4-11,13,19H,12H2,1-3H3,(H2,23,24,27)
InChIKeyJTKARBKNKXPCKM-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.09
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 51255380) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
PubChem CID51255380
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H23F2N3O3/c1-13(2)23-20(27)24-17-7-5-4-6-16(17)18(26)25(3)12-14-8-10-15(11-9-14)28-19(21)22/h4-11,13,19H,12H2,1-3H3,(H2,23,24,27)
InChIKeyJTKARBKNKXPCKM-UHFFFAOYSA-N
XLogP4.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 134025192
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 78701766
N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 4951315
N-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 27218006
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
CID 31361414

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide (CID 51255380) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide is CC(C)NC(=O)Nc1ccccc1C(=O)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is JTKARBKNKXPCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-13(2)23-20(27)24-17-7-5-4-6-16(17)18(26)25(3)12-14-8-10-15(11-9-14)28-19(21)22/h4-11,13,19H,12H2,1-3H3,(H2,23,24,27).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 391.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 51255380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).