3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide

C19H15Cl2N3O3 — CID 17171837

IUPAC3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(-c3nnc(C4CC4)o3)cc2)cc1Cl
InChIInChI=1S/C19H15Cl2N3O3/c1-26-16-14(20)8-12(9-15(16)21)17(25)22-13-6-4-11(5-7-13)19-24-23-18(27-19)10-2-3-10/h4-10H,2-3H2,1H3,(H,22,25)
InChIKeyPFIQTIGTYPWVBR-UHFFFAOYSA-N
MW404.25 g/mol
LogP5.18
Rot. Bonds5

About 3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide

3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide (PubChem CID 17171837) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide
PubChem CID17171837
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC Name3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(-c3nnc(C4CC4)o3)cc2)cc1Cl
InChIInChI=1S/C19H15Cl2N3O3/c1-26-16-14(20)8-12(9-15(16)21)17(25)22-13-6-4-11(5-7-13)19-24-23-18(27-19)10-2-3-10/h4-10H,2-3H2,1H3,(H,22,25)
InChIKeyPFIQTIGTYPWVBR-UHFFFAOYSA-N
XLogP5.18
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.25
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
3,5-dichloro-N-[4-(cyclopropylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51300077
N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 17171831
N-[4-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 26019347
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1321810
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 17050218
methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
CID 162060001
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1136350
3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 2281879
3,5-dichloro-4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 3310069
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 1296808

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide (CID 17171837) is 3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2ccc(-c3nnc(C4CC4)o3)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide?
The InChIKey is PFIQTIGTYPWVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c1-26-16-14(20)8-12(9-15(16)21)17(25)22-13-6-4-11(5-7-13)19-24-23-18(27-19)10-2-3-10/h4-10H,2-3H2,1H3,(H,22,25).
What are the key properties of 3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide?
3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide has a molecular weight of 404.25 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 17171837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).