N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide

C17H17ClN2O3 — CID 2712885

IUPACN-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-11(19-17(22)12-6-4-3-5-7-12)16(21)20-13-8-9-15(23-2)14(18)10-13/h3-11H,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyWSSJFVHMOQSWKR-LLVKDONJSA-N
MW332.79 g/mol
LogP3.11
Rot. Bonds5

About N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide

N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 2712885) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
PubChem CID2712885
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-11(19-17(22)12-6-4-3-5-7-12)16(21)20-13-8-9-15(23-2)14(18)10-13/h3-11H,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1
InChIKeyWSSJFVHMOQSWKR-LLVKDONJSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51143820
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
N-[1-(3-chloro-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 78630333
N-[1-(3-chloro-4-methoxyanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 42990228
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide (CID 2712885) is N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide is COc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is WSSJFVHMOQSWKR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11(19-17(22)12-6-4-3-5-7-12)16(21)20-13-8-9-15(23-2)14(18)10-13/h3-11H,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide?
N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 2712885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).