N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide

C12H15ClN2O3 — CID 54943086

IUPACN-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-7(2)15(6-11(14)17)12(18)8-3-4-10(16)9(13)5-8/h3-5,7,16H,6H2,1-2H3,(H2,14,17)
InChIKeyMHJXANCAAYUADL-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.38
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide

N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide (PubChem CID 54943086) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide
PubChem CID54943086
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3/c1-7(2)15(6-11(14)17)12(18)8-3-4-10(16)9(13)5-8/h3-5,7,16H,6H2,1-2H3,(H2,14,17)
InChIKeyMHJXANCAAYUADL-UHFFFAOYSA-N
XLogP1.38
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
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CID 55000544
N-(2-amino-2-oxoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79725497
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
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N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
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N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-bromo-3-chloro-N-propan-2-ylbenzamide
CID 81307916
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 55161786
3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 43572598
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
3-amino-N-(2-amino-2-oxoethyl)-4-ethoxy-N-propan-2-ylbenzamide
CID 61093294
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 103865091

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide (CID 54943086) is N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide is CC(C)N(CC(N)=O)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide?
The InChIKey is MHJXANCAAYUADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7(2)15(6-11(14)17)12(18)8-3-4-10(16)9(13)5-8/h3-5,7,16H,6H2,1-2H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide?
N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide has a molecular weight of 270.72 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-chloro-4-hydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 54943086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).