N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide

C17H12Cl2FN3O2 — CID 9093210

IUPACN-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESC[C@H](NC(=O)c1ccc(-c2nnco2)cc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2FN3O2/c1-9(12-6-15(20)14(19)7-13(12)18)22-16(24)10-2-4-11(5-3-10)17-23-21-8-25-17/h2-9H,1H3,(H,22,24)/t9-/m0/s1
InChIKeyPTYJSMLIPYUMLU-VIFPVBQESA-N
MW380.21 g/mol
LogP4.67
Rot. Bonds4

About N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide

N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 9093210) has the molecular formula C17H12Cl2FN3O2 and a molecular weight of 380.21 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID9093210
Molecular FormulaC17H12Cl2FN3O2
Molecular Weight380.21 g/mol
Exact Mass379.03
IUPAC NameN-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
SMILESC[C@H](NC(=O)c1ccc(-c2nnco2)cc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2FN3O2/c1-9(12-6-15(20)14(19)7-13(12)18)22-16(24)10-2-4-11(5-3-10)17-23-21-8-25-17/h2-9H,1H3,(H,22,24)/t9-/m0/s1
InChIKeyPTYJSMLIPYUMLU-VIFPVBQESA-N
XLogP4.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(2-methylpropanoylamino)benzamide
CID 112819236
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25439790
N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 112764235
N-(2,4-difluorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9078558
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112844831
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150886
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 112764223
1-[(2-chlorophenyl)methyl]-N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 25440796
N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9232204
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112764288
2-cyclopropyl-2-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]acetic acid
CID 62697061

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide (CID 9093210) is N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide is C[C@H](NC(=O)c1ccc(-c2nnco2)cc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is PTYJSMLIPYUMLU-VIFPVBQESA-N. The full InChI is InChI=1S/C17H12Cl2FN3O2/c1-9(12-6-15(20)14(19)7-13(12)18)22-16(24)10-2-4-11(5-3-10)17-23-21-8-25-17/h2-9H,1H3,(H,22,24)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide?
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 380.21 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 9093210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).