N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide

C24H18ClF3N2O2 — CID 42669710

IUPACN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide
SMILESO=C(c1ccccc1F)N(Cc1ccc(F)cc1F)CC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C24H18ClF3N2O2/c25-17-8-5-15(6-9-17)23-12-19(32-29-23)14-30(13-16-7-10-18(26)11-22(16)28)24(31)20-3-1-2-4-21(20)27/h1-11,19H,12-14H2
InChIKeySGDHRBDOILEMQR-UHFFFAOYSA-N
MW458.87 g/mol
LogP5.59
Rot. Bonds6

About N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide

N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide (PubChem CID 42669710) has the molecular formula C24H18ClF3N2O2 and a molecular weight of 458.87 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide
PubChem CID42669710
Molecular FormulaC24H18ClF3N2O2
Molecular Weight458.87 g/mol
Exact Mass458.10
IUPAC NameN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide
SMILESO=C(c1ccccc1F)N(Cc1ccc(F)cc1F)CC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C24H18ClF3N2O2/c25-17-8-5-15(6-9-17)23-12-19(32-29-23)14-30(13-16-7-10-18(26)11-22(16)28)24(31)20-3-1-2-4-21(20)27/h1-11,19H,12-14H2
InChIKeySGDHRBDOILEMQR-UHFFFAOYSA-N
XLogP5.59
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.87
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide
CID 42815801
N-[(2-chlorophenyl)methyl]-2-fluoro-N-[[(5R)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 93307379
N-[[3-(2,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 42790103
2-fluoro-N-[[(5S)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 93307617
N-[(2,4-difluorophenyl)methyl]-N-[[(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide
CID 93116044
N-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 93307321
N-[[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 93307320
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylbenzamide
CID 42816041
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 42815681
N-[(3-chlorophenyl)methyl]-N-[[(5S)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluorobenzamide
CID 93307595
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 93128456
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 3285154

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide (CID 42669710) is N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide is O=C(c1ccccc1F)N(Cc1ccc(F)cc1F)CC1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide?
The InChIKey is SGDHRBDOILEMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N2O2/c25-17-8-5-15(6-9-17)23-12-19(32-29-23)14-30(13-16-7-10-18(26)11-22(16)28)24(31)20-3-1-2-4-21(20)27/h1-11,19H,12-14H2.
What are the key properties of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide?
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide has a molecular weight of 458.87 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 42669710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).