3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide

C18H15Cl2N3O4 — CID 59901919

IUPAC3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide
SMILESCc1noc([C@H](Cc2ccccc2)NC(=O)c2cc(Cl)c(O)c(Cl)c2O)n1
InChIInChI=1S/C18H15Cl2N3O4/c1-9-21-18(27-23-9)13(7-10-5-3-2-4-6-10)22-17(26)11-8-12(19)16(25)14(20)15(11)24/h2-6,8,13,24-25H,7H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyUEYHZVWQOGDZFJ-ZDUSSCGKSA-N
MW408.24 g/mol
LogP3.81
Rot. Bonds5

About 3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide

3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide (PubChem CID 59901919) has the molecular formula C18H15Cl2N3O4 and a molecular weight of 408.24 g/mol. Its IUPAC name is 3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide
PubChem CID59901919
Molecular FormulaC18H15Cl2N3O4
Molecular Weight408.24 g/mol
Exact Mass407.04
IUPAC Name3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide
SMILESCc1noc([C@H](Cc2ccccc2)NC(=O)c2cc(Cl)c(O)c(Cl)c2O)n1
InChIInChI=1S/C18H15Cl2N3O4/c1-9-21-18(27-23-9)13(7-10-5-3-2-4-6-10)22-17(26)11-8-12(19)16(25)14(20)15(11)24/h2-6,8,13,24-25H,7H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyUEYHZVWQOGDZFJ-ZDUSSCGKSA-N
XLogP3.81
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dichloro-2,4-dihydroxybenzoyl)amino]-3-phenylpropanoic acid
CID 22094782
N-[(1R)-2-[4-(4-chlorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide
CID 59852593
methyl (2S)-2-[(3,5-dichloro-2-hydroxy-4-methylbenzoyl)amino]-3-phenylpropanoate
CID 59932404
N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-5-(4-nitrophenyl)benzamide
CID 11467266
4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120866059
methyl (2S)-2-[(4-amino-3,5-dichloro-2-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 91517144
3-(aminomethyl)-N-[1-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 22949329
but-1-en-2-amine;3,5-dichloro-2,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide;molecular hydrogen;hydrochloride
CID 159089453
N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide
CID 11444892
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120868474
2-hydroxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-(4-methylsulfonylphenyl)phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide
CID 11215729

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide?
The IUPAC name of 3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide (CID 59901919) is 3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide is Cc1noc([C@H](Cc2ccccc2)NC(=O)c2cc(Cl)c(O)c(Cl)c2O)n1.
What is the InChIKey of 3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide?
The InChIKey is UEYHZVWQOGDZFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4/c1-9-21-18(27-23-9)13(7-10-5-3-2-4-6-10)22-17(26)11-8-12(19)16(25)14(20)15(11)24/h2-6,8,13,24-25H,7H2,1H3,(H,22,26)/t13-/m0/s1.
What are the key properties of 3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide?
3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide has a molecular weight of 408.24 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,4-dihydroxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 59901919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).