2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide

C14H15ClF3NO2 — CID 53416951

IUPAC2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(N(CC2CC2)C(=O)CCl)cc1C(F)(F)F
InChIInChI=1S/C14H15ClF3NO2/c1-21-12-5-4-10(6-11(12)14(16,17)18)19(13(20)7-15)8-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeyCQADSQYLKAARQO-UHFFFAOYSA-N
MW321.73 g/mol
LogP3.70
Rot. Bonds5

About 2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide

2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 53416951) has the molecular formula C14H15ClF3NO2 and a molecular weight of 321.73 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide
PubChem CID53416951
Molecular FormulaC14H15ClF3NO2
Molecular Weight321.73 g/mol
Exact Mass321.07
IUPAC Name2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(N(CC2CC2)C(=O)CCl)cc1C(F)(F)F
InChIInChI=1S/C14H15ClF3NO2/c1-21-12-5-4-10(6-11(12)14(16,17)18)19(13(20)7-15)8-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeyCQADSQYLKAARQO-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide (CID 53416951) is 2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide is COc1ccc(N(CC2CC2)C(=O)CCl)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CQADSQYLKAARQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO2/c1-21-12-5-4-10(6-11(12)14(16,17)18)19(13(20)7-15)8-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 321.73 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53416951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).