N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide

C13H18ClNO2 — CID 107673175

IUPACN-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide
SMILESCCN(CCCCl)C(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C13H18ClNO2/c1-3-15(8-4-7-14)13(17)11-5-6-12(16)10(2)9-11/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyGZABMSOKNXXOOS-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.79
Rot. Bonds5

About N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide

N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide (PubChem CID 107673175) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide
PubChem CID107673175
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC NameN-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide
SMILESCCN(CCCCl)C(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C13H18ClNO2/c1-3-15(8-4-7-14)13(17)11-5-6-12(16)10(2)9-11/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyGZABMSOKNXXOOS-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.79
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-(3-chloropropyl)-N-ethyl-2-methylpyridine-4-carboxamide
CID 106754273
N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide
CID 102978865
4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103956777
2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide
CID 106503200
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
N-(3-amino-2,2-dimethylpropyl)-4-hydroxy-3-methyl-N-propylbenzamide
CID 107672177
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
N-cyclopentyl-N-ethyl-4-hydroxy-3-methylbenzamide
CID 103951919
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide (CID 107673175) is N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide is CCN(CCCCl)C(=O)c1ccc(O)c(C)c1.
What is the InChIKey of N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide?
The InChIKey is GZABMSOKNXXOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-15(8-4-7-14)13(17)11-5-6-12(16)10(2)9-11/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide?
N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide has a molecular weight of 255.75 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-ethyl-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107673175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).