N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide

C12H16ClNO2 — CID 63393949

IUPACN-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(C)Cl)cc1O
InChIInChI=1S/C12H16ClNO2/c1-8-4-5-10(6-11(8)15)12(16)14(3)7-9(2)13/h4-6,9,15H,7H2,1-3H3
InChIKeyNIOINTNYBATIEA-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.40
Rot. Bonds3

About N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide

N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide (PubChem CID 63393949) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
PubChem CID63393949
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(C)Cl)cc1O
InChIInChI=1S/C12H16ClNO2/c1-8-4-5-10(6-11(8)15)12(16)14(3)7-9(2)13/h4-6,9,15H,7H2,1-3H3
InChIKeyNIOINTNYBATIEA-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

3-hydroxy-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103957388
N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide
CID 110016170
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845
N-(2-chloropropyl)-N,3-dimethylbenzamide
CID 63393760
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
4-chloro-N-(2-chloropropyl)-N-methylbenzamide
CID 63393567
4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
3,4-dihydroxy-N-methyl-N-(2-methylpropyl)benzamide
CID 103956449
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
3-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393941
3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
CID 107974799

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide?
The IUPAC name of N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide (CID 63393949) is N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide?
The canonical SMILES for N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC(C)Cl)cc1O.
What is the InChIKey of N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide?
The InChIKey is NIOINTNYBATIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-4-5-10(6-11(8)15)12(16)14(3)7-9(2)13/h4-6,9,15H,7H2,1-3H3.
What are the key properties of N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide?
N-(2-chloropropyl)-3-hydroxy-N,4-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-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide is sourced from PubChem (CID 63393949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).