N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide

C24H16F4N2O3 — CID 86764962

IUPACN-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2ccc3c(oc(=O)n3C(F)F)c2C2CC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C24H16F4N2O3/c25-16-2-1-3-17(26)20(16)22(31)29-14-8-6-12(7-9-14)15-10-11-18-21(19(15)13-4-5-13)33-24(32)30(18)23(27)28/h1-3,6-11,13,23H,4-5H2,(H,29,31)
InChIKeyZHXUXRMTELPQCZ-UHFFFAOYSA-N
MW456.40 g/mol
LogP6.06
Rot. Bonds5

About N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide

N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide (PubChem CID 86764962) has the molecular formula C24H16F4N2O3 and a molecular weight of 456.40 g/mol. Its IUPAC name is N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide
PubChem CID86764962
Molecular FormulaC24H16F4N2O3
Molecular Weight456.40 g/mol
Exact Mass456.11
IUPAC NameN-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2ccc3c(oc(=O)n3C(F)F)c2C2CC2)cc1)c1c(F)cccc1F
InChIInChI=1S/C24H16F4N2O3/c25-16-2-1-3-17(26)20(16)22(31)29-14-8-6-12(7-9-14)15-10-11-18-21(19(15)13-4-5-13)33-24(32)30(18)23(27)28/h1-3,6-11,13,23H,4-5H2,(H,29,31)
InChIKeyZHXUXRMTELPQCZ-UHFFFAOYSA-N
XLogP6.06
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.40
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide with MolForge

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Related Compounds

N-[6-(7-cyclopropyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86763752
7-cyclopropyl-6-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methyl-1,3-benzoxazol-2-one
CID 121349137
N-[4-[3-(cyclopropylmethyl)-6-methyl-2-oxo-1,3-benzoxazol-5-yl]phenyl]-2,6-difluorobenzamide
CID 86763757
N-[4-(5-ethyl-3-methyl-2-oxo-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
CID 86764080
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
N-[4-(cyclohexen-1-yl)phenyl]-2,6-difluorobenzamide
CID 143518363
2,6-difluoro-N-[4-(4-propan-2-yl-3-pyridinyl)phenyl]benzamide
CID 59517951
2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7593337
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2,6-difluorobenzamide
CID 54596606
N-[6-(3,5-dimethyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]-2,6-difluorobenzamide
CID 86764413
4-[C-[4-[(2,6-difluorobenzoyl)amino]phenyl]-N-methoxycarbonimidoyl]piperidine-1-carboxylic acid
CID 130297795

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide (CID 86764962) is N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide is O=C(Nc1ccc(-c2ccc3c(oc(=O)n3C(F)F)c2C2CC2)cc1)c1c(F)cccc1F.
What is the InChIKey of N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide?
The InChIKey is ZHXUXRMTELPQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N2O3/c25-16-2-1-3-17(26)20(16)22(31)29-14-8-6-12(7-9-14)15-10-11-18-21(19(15)13-4-5-13)33-24(32)30(18)23(27)28/h1-3,6-11,13,23H,4-5H2,(H,29,31).
What are the key properties of N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide?
N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide has a molecular weight of 456.40 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-cyclopropyl-3-(difluoromethyl)-2-oxo-1,3-benzoxazol-6-yl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 86764962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).