5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide

C18H18F3N3O3 — CID 49285325

IUPAC5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)ccc1F
InChIInChI=1S/C18H18F3N3O3/c1-22-16(25)14-9-12(5-8-15(14)19)23-18(26)24(2)10-11-3-6-13(7-4-11)27-17(20)21/h3-9,17H,10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyGCZQRZDXQQYRCV-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.45
Rot. Bonds6

About 5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide

5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide (PubChem CID 49285325) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide
PubChem CID49285325
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)ccc1F
InChIInChI=1S/C18H18F3N3O3/c1-22-16(25)14-9-12(5-8-15(14)19)23-18(26)24(2)10-11-3-6-13(7-4-11)27-17(20)21/h3-9,17H,10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyGCZQRZDXQQYRCV-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 27868239
3-[4-(4-cyanophenoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60591675
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[3-(dimethylsulfamoyl)phenyl]-1-methylurea
CID 55696852
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea
CID 60603061
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86916189
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18274343
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60600941
N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
CID 78871682
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide (CID 49285325) is 5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)ccc1F.
What is the InChIKey of 5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide?
The InChIKey is GCZQRZDXQQYRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-22-16(25)14-9-12(5-8-15(14)19)23-18(26)24(2)10-11-3-6-13(7-4-11)27-17(20)21/h3-9,17H,10H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide?
5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide has a molecular weight of 381.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 49285325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).