N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide

C15H20ClNO3 — CID 114758076

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1(CCCl)CC1
InChIInChI=1S/C15H20ClNO3/c1-19-11-4-3-5-12(20-2)13(11)14(18)17-10-15(6-7-15)8-9-16/h3-5H,6-10H2,1-2H3,(H,17,18)
InChIKeyJSDXHKSGCHHHAH-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.84
Rot. Bonds7

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide (PubChem CID 114758076) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
PubChem CID114758076
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1(CCCl)CC1
InChIInChI=1S/C15H20ClNO3/c1-19-11-4-3-5-12(20-2)13(11)14(18)17-10-15(6-7-15)8-9-16/h3-5H,6-10H2,1-2H3,(H,17,18)
InChIKeyJSDXHKSGCHHHAH-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 114758157
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methoxy-4-nitrobenzamide
CID 114758144
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
N-[1-(chloromethyl)cyclohexyl]-2,6-dimethoxybenzamide
CID 114303510
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114758141
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 114758143
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide
CID 113313447
2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624123
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
2-hydroxy-6-methoxy-N-propylbenzamide
CID 84579124

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide (CID 114758076) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC1(CCCl)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide?
The InChIKey is JSDXHKSGCHHHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-19-11-4-3-5-12(20-2)13(11)14(18)17-10-15(6-7-15)8-9-16/h3-5H,6-10H2,1-2H3,(H,17,18).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide has a molecular weight of 297.78 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 114758076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).