N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide

C17H17Cl2NO2 — CID 4850845

IUPACN-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
SMILESCCC(C)c1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-3-10(2)11-4-6-13(7-5-11)20-17(22)12-8-14(18)16(21)15(19)9-12/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeySRIBVKNBFZIRFW-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.46
Rot. Bonds4

About N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide

N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide (PubChem CID 4850845) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
PubChem CID4850845
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
SMILESCCC(C)c1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-3-10(2)11-4-6-13(7-5-11)20-17(22)12-8-14(18)16(21)15(19)9-12/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeySRIBVKNBFZIRFW-UHFFFAOYSA-N
XLogP5.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
CID 4555488
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
3-amino-N-(4-butan-2-ylphenyl)benzamide
CID 20667037
3-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 5224241
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
N-[4-[(2R)-butan-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 2461107
N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
CID 17309567

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide (CID 4850845) is N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide is CCC(C)c1ccc(NC(=O)c2cc(Cl)c(O)c(Cl)c2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide?
The InChIKey is SRIBVKNBFZIRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-3-10(2)11-4-6-13(7-5-11)20-17(22)12-8-14(18)16(21)15(19)9-12/h4-10,21H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide?
N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide has a molecular weight of 338.23 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide is sourced from PubChem (CID 4850845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).