2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide

C17H19ClN2O3 — CID 66868075

IUPAC2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)c(CCCCl)c1OC
InChIInChI=1S/C17H19ClN2O3/c1-22-15-6-5-14(13(4-3-9-18)16(15)23-2)17(21)20-12-7-10-19-11-8-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,20,21)
InChIKeyDFNAYWKQWLOTTC-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.52
Rot. Bonds7

About 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide

2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide (PubChem CID 66868075) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide
PubChem CID66868075
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)c(CCCCl)c1OC
InChIInChI=1S/C17H19ClN2O3/c1-22-15-6-5-14(13(4-3-9-18)16(15)23-2)17(21)20-12-7-10-19-11-8-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,20,21)
InChIKeyDFNAYWKQWLOTTC-UHFFFAOYSA-N
XLogP3.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-2-propyl-N-pyridin-4-yl-1-benzofuran-4-carboxamide
CID 70226321
ethane;4-ethyl-2-methoxy-N-pyridin-4-ylbenzamide
CID 167447261
7-methoxy-2,2-dimethyl-N-pyridin-4-yl-1,3-benzodioxole-4-carboxamide
CID 22734102
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
CID 110763407
N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide
CID 114299336
2-amino-4-(2-chloroethoxy)-3-methoxy-N-phenylbenzamide
CID 67576572
N-pyridin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27700068
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide (CID 66868075) is 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide is COc1ccc(C(=O)Nc2ccncc2)c(CCCCl)c1OC.
What is the InChIKey of 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide?
The InChIKey is DFNAYWKQWLOTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-22-15-6-5-14(13(4-3-9-18)16(15)23-2)17(21)20-12-7-10-19-11-8-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide?
2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide has a molecular weight of 334.80 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-3,4-dimethoxy-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 66868075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).