N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide

C11H14ClNO2 — CID 104555656

IUPACN-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide
SMILESCC(CCl)N(C)C(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14ClNO2/c1-8(7-12)13(2)11(15)9-3-5-10(14)6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeyPKZIVXNEPPENBH-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.09
Rot. Bonds3

About N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide

N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide (PubChem CID 104555656) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide
PubChem CID104555656
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide
SMILESCC(CCl)N(C)C(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14ClNO2/c1-8(7-12)13(2)11(15)9-3-5-10(14)6-4-9/h3-6,8,14H,7H2,1-2H3
InChIKeyPKZIVXNEPPENBH-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-4-hydroxy-N-methylbenzamide
CID 43273177
N-(1-chloropropan-2-yl)-4-ethoxy-N-methylbenzamide
CID 104555583
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
N-(1-chloropropan-2-yl)-N-methyl-4-nitrobenzamide
CID 104555660
3-bromo-N-(1-chloropropan-2-yl)-N,4-dimethylbenzamide
CID 104555602
N-(1-chloropropan-2-yl)-4-fluoro-N,3-dimethylbenzamide
CID 104555665
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
CID 104555728
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
CID 104555603

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide?
The IUPAC name of N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide (CID 104555656) is N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide is CC(CCl)N(C)C(=O)c1ccc(O)cc1.
What is the InChIKey of N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide?
The InChIKey is PKZIVXNEPPENBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(7-12)13(2)11(15)9-3-5-10(14)6-4-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide?
N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide has a molecular weight of 227.69 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 104555656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).