N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide

C15H20ClNO2 — CID 107003246

IUPACN-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC2(C)C)cc1CCl
InChIInChI=1S/C15H20ClNO2/c1-4-19-13-6-5-11(7-10(13)9-16)17-14(18)12-8-15(12,2)3/h5-7,12H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyKOOXBBUDKODRBL-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.81
Rot. Bonds5

About N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107003246) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107003246
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC2(C)C)cc1CCl
InChIInChI=1S/C15H20ClNO2/c1-4-19-13-6-5-11(7-10(13)9-16)17-14(18)12-8-15(12,2)3/h5-7,12H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyKOOXBBUDKODRBL-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.81
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-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888
N-[3-(chloromethyl)-4-ethoxyphenyl]thiane-2-carboxamide
CID 114302927
N-[3-(chloromethyl)-4-ethoxyphenyl]thiolane-2-carboxamide
CID 114302988
N-[3-(chloromethyl)-4-ethoxyphenyl]oxolane-3-carboxamide
CID 113272873
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
N-[3-(chloromethyl)-4-ethoxyphenyl]-3,3-dimethylbutanamide
CID 114302982
N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide
CID 104672631
5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide
CID 106690004
N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
CID 114302940
N-[3-(bromomethyl)-4-ethoxyphenyl]cyclohexanecarboxamide
CID 114313578

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 107003246) is N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide is CCOc1ccc(NC(=O)C2CC2(C)C)cc1CCl.
What is the InChIKey of N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is KOOXBBUDKODRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-4-19-13-6-5-11(7-10(13)9-16)17-14(18)12-8-15(12,2)3/h5-7,12H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 281.78 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107003246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).