3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide

C14H18ClNO2 — CID 20778915

IUPAC3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1C(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C14H18ClNO2/c1-14(2)11(9-6-5-7-10(15)8-9)12(14)13(17)16(3)18-4/h5-8,11-12H,1-4H3
InChIKeyXRAUNJDSRWPDBR-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.10
Rot. Bonds3

About 3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide

3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide (PubChem CID 20778915) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide
PubChem CID20778915
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1C(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C14H18ClNO2/c1-14(2)11(9-6-5-7-10(15)8-9)12(14)13(17)16(3)18-4/h5-8,11-12H,1-4H3
InChIKeyXRAUNJDSRWPDBR-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,3R)-3-(3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 11481517
1-[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]propan-1-one
CID 20778842
3-(3-chlorophenyl)-N-(diaminomethylidene)-2,2-dimethylcyclopropane-1-carboxamide
CID 54403204
3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 82368619
trans-(1S,3S)-3-[3-(methoxymethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178202509
trans-(1R,2R)-2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 45026975
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
tert-butyl 3-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 68647261
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
CID 142901928
trans-(1S,3S)-2,2-dimethyl-3-(3-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
CID 178197890
N-[[3-(3-chlorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxyethanamine
CID 114229873
trans-(1S,3S)-2,2-dimethyl-3-(3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 178197587

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide (CID 20778915) is 3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide is CON(C)C(=O)C1C(c2cccc(Cl)c2)C1(C)C.
What is the InChIKey of 3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide?
The InChIKey is XRAUNJDSRWPDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-14(2)11(9-6-5-7-10(15)8-9)12(14)13(17)16(3)18-4/h5-8,11-12H,1-4H3.
What are the key properties of 3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide?
3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 20778915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).