N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide

C23H30ClNO4 — CID 71381231

IUPACN-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide
SMILESCC(C)CCOc1ccc(OCCC(C)C)c(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C23H30ClNO4/c1-15(2)9-11-28-18-6-8-22(29-12-10-16(3)4)20(14-18)25-23(27)19-13-17(24)5-7-21(19)26/h5-8,13-16,26H,9-12H2,1-4H3,(H,25,27)
InChIKeyNNVGYGAOJRUNHG-UHFFFAOYSA-N
MW419.95 g/mol
LogP6.15
Rot. Bonds10

About N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide

N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide (PubChem CID 71381231) has the molecular formula C23H30ClNO4 and a molecular weight of 419.95 g/mol. Its IUPAC name is N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide
PubChem CID71381231
Molecular FormulaC23H30ClNO4
Molecular Weight419.95 g/mol
Exact Mass419.19
IUPAC NameN-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide
SMILESCC(C)CCOc1ccc(OCCC(C)C)c(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C23H30ClNO4/c1-15(2)9-11-28-18-6-8-22(29-12-10-16(3)4)20(14-18)25-23(27)19-13-17(24)5-7-21(19)26/h5-8,13-16,26H,9-12H2,1-4H3,(H,25,27)
InChIKeyNNVGYGAOJRUNHG-UHFFFAOYSA-N
XLogP6.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.95
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromophenoxy)-5-chlorophenyl]-5-chloro-2-hydroxybenzamide
CID 21436614
5-chloro-N-[2-[2-(3-chlorophenyl)ethoxy]-5-(1,1-difluoroethyl)phenyl]-2-hydroxybenzamide
CID 162599276
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide
CID 35363899
N-(2,5-dioctoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 71417500
5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide
CID 141125104
2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 4943480
7-[4-chloro-2-[(2-hydroxybenzoyl)amino]phenoxy]heptanoic acid
CID 58764462
ethyl 2-[5-chloro-2-(3-methylbutoxy)phenyl]-2-oxoacetate
CID 91656412
5-chloro-N-[2-(1-chloroethyl)phenyl]-2-hydroxybenzamide
CID 114304723
5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide
CID 17350678
5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 70853824
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 35366721

Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide (CID 71381231) is N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide is CC(C)CCOc1ccc(OCCC(C)C)c(NC(=O)c2cc(Cl)ccc2O)c1.
What is the InChIKey of N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is NNVGYGAOJRUNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO4/c1-15(2)9-11-28-18-6-8-22(29-12-10-16(3)4)20(14-18)25-23(27)19-13-17(24)5-7-21(19)26/h5-8,13-16,26H,9-12H2,1-4H3,(H,25,27).
What are the key properties of N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide?
N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 419.95 g/mol, XLogP of 6.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 71381231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).