N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide

C12H16ClNO2 — CID 104555728

IUPACN-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)CCl)c1O
InChIInChI=1S/C12H16ClNO2/c1-8-5-4-6-10(11(8)15)12(16)14(3)9(2)7-13/h4-6,9,15H,7H2,1-3H3
InChIKeyCLLMNLDXVZRPKC-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.40
Rot. Bonds3

About N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide

N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide (PubChem CID 104555728) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
PubChem CID104555728
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)C(C)CCl)c1O
InChIInChI=1S/C12H16ClNO2/c1-8-5-4-6-10(11(8)15)12(16)14(3)9(2)7-13/h4-6,9,15H,7H2,1-3H3
InChIKeyCLLMNLDXVZRPKC-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.40
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

2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 43266066
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
3-[ethyl-(2-hydroxy-3-methylbenzoyl)amino]butanoic acid
CID 62821574
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357
N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
CID 80666341
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
CID 107984024
2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 80718791
N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide
CID 104555656

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide?
The IUPAC name of N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide (CID 104555728) is N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)C(C)CCl)c1O.
What is the InChIKey of N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide?
The InChIKey is CLLMNLDXVZRPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-5-4-6-10(11(8)15)12(16)14(3)9(2)7-13/h4-6,9,15H,7H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide?
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.40, 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)-2-hydroxy-N,3-dimethylbenzamide is sourced from PubChem (CID 104555728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).