2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

C13H19ClN2O2 — CID 106164041

IUPAC2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H19ClN2O2/c1-3-13(2,7-8-17)16-12(18)9-5-4-6-10(14)11(9)15/h4-6,17H,3,7-8,15H2,1-2H3,(H,16,18)
InChIKeyXQWNFLQGERGKFV-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.20
Rot. Bonds5

About 2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (PubChem CID 106164041) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
PubChem CID106164041
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H19ClN2O2/c1-3-13(2,7-8-17)16-12(18)9-5-4-6-10(14)11(9)15/h4-6,17H,3,7-8,15H2,1-2H3,(H,16,18)
InChIKeyXQWNFLQGERGKFV-UHFFFAOYSA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 115540629
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
2-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 106173291
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
CID 115540469
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249355
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide
CID 104580990
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (CID 106164041) is 2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is CCC(C)(CCO)NC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The InChIKey is XQWNFLQGERGKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-13(2,7-8-17)16-12(18)9-5-4-6-10(14)11(9)15/h4-6,17H,3,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 106164041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).