2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide

C16H23ClN2O3 — CID 110000959

IUPAC2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)CO)c1
InChIInChI=1S/C16H23ClN2O3/c1-10(2)7-14(21)18-11-5-6-13(17)12(8-11)15(22)19-16(3,4)9-20/h5-6,8,10,20H,7,9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyOLMSLWJCIKHNBD-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.83
Rot. Bonds6

About 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide

2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide (PubChem CID 110000959) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide
PubChem CID110000959
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)CO)c1
InChIInChI=1S/C16H23ClN2O3/c1-10(2)7-14(21)18-11-5-6-13(17)12(8-11)15(22)19-16(3,4)9-20/h5-6,8,10,20H,7,9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyOLMSLWJCIKHNBD-UHFFFAOYSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
CID 119525205
2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide
CID 119430523
4-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]-2-methylbenzoic acid
CID 119240331
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119495881
N-(3-amino-2-methylpropyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119997159
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518
1-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538932
2-[3-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]phenyl]acetic acid
CID 119351920
N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide
CID 120569045
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-(3-methylbutanoylamino)benzamide
CID 109468086
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide?
The IUPAC name of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide (CID 110000959) is 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide is CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)CO)c1.
What is the InChIKey of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide?
The InChIKey is OLMSLWJCIKHNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-10(2)7-14(21)18-11-5-6-13(17)12(8-11)15(22)19-16(3,4)9-20/h5-6,8,10,20H,7,9H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide?
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide has a molecular weight of 326.82 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 110000959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).