N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide

C20H23F2N3O2 — CID 55819647

IUPACN-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H23F2N3O2/c1-12(2)19(26)24-14-6-4-7-15(11-14)25-20(27)23-13(3)10-16-17(21)8-5-9-18(16)22/h4-9,11-13H,10H2,1-3H3,(H,24,26)(H2,23,25,27)
InChIKeyIJTPDHOFRNKOCU-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.31
Rot. Bonds6

About N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide

N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide (PubChem CID 55819647) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide
PubChem CID55819647
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC NameN-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H23F2N3O2/c1-12(2)19(26)24-14-6-4-7-15(11-14)25-20(27)23-13(3)10-16-17(21)8-5-9-18(16)22/h4-9,11-13H,10H2,1-3H3,(H,24,26)(H2,23,25,27)
InChIKeyIJTPDHOFRNKOCU-UHFFFAOYSA-N
XLogP4.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[1-(2,6-difluorophenyl)propan-2-yl]urea
CID 55817222
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
ethyl (E)-3-[4-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]prop-2-enoate
CID 55819147
N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
CID 78894521
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56520338
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
1-[2-(3-chlorophenyl)ethyl]-3-[1-(2,6-difluorophenyl)propan-2-yl]urea
CID 55922684
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide (CID 55819647) is N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide is CC(Cc1c(F)cccc1F)NC(=O)Nc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide?
The InChIKey is IJTPDHOFRNKOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-12(2)19(26)24-14-6-4-7-15(11-14)25-20(27)23-13(3)10-16-17(21)8-5-9-18(16)22/h4-9,11-13H,10H2,1-3H3,(H,24,26)(H2,23,25,27).
What are the key properties of N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide?
N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide has a molecular weight of 375.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 55819647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).