N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide

C11H14ClNO2 — CID 14551932

IUPACN-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CO)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-8(2)13(11(15)7-14)10-5-3-4-9(12)6-10/h3-6,8,14H,7H2,1-2H3
InChIKeyOOCSAIOTXMDWRN-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.07
Rot. Bonds3

About N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide

N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide (PubChem CID 14551932) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
PubChem CID14551932
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CO)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-8(2)13(11(15)7-14)10-5-3-4-9(12)6-10/h3-6,8,14H,7H2,1-2H3
InChIKeyOOCSAIOTXMDWRN-UHFFFAOYSA-N
XLogP2.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-chloroaniline;(3-chlorophenyl)-propan-2-ylcarbamic acid
CID 175962918
(2S)-2-(N-acetyl-3-chloroanilino)propanoic acid
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N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide
CID 71107637
2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide
CID 55703716
N-(4-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxy-N-propan-2-ylacetamide
CID 169440701
N-(3-chlorophenyl)-N-heptan-4-yl-2-methylbutanamide
CID 71107318
2-(3-chloro-N-ethylsulfonylanilino)propanoic acid
CID 50890299
(2R)-2-(3-chloro-N-ethylanilino)propanoic acid
CID 124583979
N-(3-chlorophenyl)-N-heptan-2-yl-2-methylbutanamide
CID 71107165
2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 2408074
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
2-[3-chloro-N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65058859

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide (CID 14551932) is N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide is CC(C)N(C(=O)CO)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide?
The InChIKey is OOCSAIOTXMDWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(2)13(11(15)7-14)10-5-3-4-9(12)6-10/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide?
N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide has a molecular weight of 227.69 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-hydroxy-N-propan-2-ylacetamide is sourced from PubChem (CID 14551932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).