2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide

C17H17ClN2O3 — CID 111432348

IUPAC2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NC(=O)C(O)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-20(2)17(23)13-10-12(8-9-14(13)18)19-16(22)15(21)11-6-4-3-5-7-11/h3-10,15,21H,1-2H3,(H,19,22)
InChIKeyMGSPDUSXUGVZJE-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide

2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide (PubChem CID 111432348) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide
PubChem CID111432348
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NC(=O)C(O)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-20(2)17(23)13-10-12(8-9-14(13)18)19-16(22)15(21)11-6-4-3-5-7-11/h3-10,15,21H,1-2H3,(H,19,22)
InChIKeyMGSPDUSXUGVZJE-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-N,N-dimethylbenzamide
CID 122132710
5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride
CID 119286908
5-[[2-(benzylcarbamoylamino)-3-methylbutanoyl]amino]-2-chloro-N,N-dimethylbenzamide
CID 55930943
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198
2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide
CID 43709856
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-chlorobenzamide
CID 104897291
2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
CID 83768315
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55662931
2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168593187
5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79813790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide (CID 111432348) is 2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(NC(=O)C(O)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide?
The InChIKey is MGSPDUSXUGVZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-20(2)17(23)13-10-12(8-9-14(13)18)19-16(22)15(21)11-6-4-3-5-7-11/h3-10,15,21H,1-2H3,(H,19,22).
What are the key properties of 2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide?
2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide has a molecular weight of 332.79 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 111432348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).