2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide

C14H15BrF3NO2 — CID 103339064

IUPAC2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide
SMILESC=CCN(CCOC)C(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H15BrF3NO2/c1-3-6-19(7-8-21-2)13(20)11-9-10(14(16,17)18)4-5-12(11)15/h3-5,9H,1,6-8H2,2H3
InChIKeyNMPDGHUXRQHUBQ-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.74
Rot. Bonds6

About 2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide

2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide (PubChem CID 103339064) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide
PubChem CID103339064
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide
SMILESC=CCN(CCOC)C(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H15BrF3NO2/c1-3-6-19(7-8-21-2)13(20)11-9-10(14(16,17)18)4-5-12(11)15/h3-5,9H,1,6-8H2,2H3
InChIKeyNMPDGHUXRQHUBQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-iodo-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103528752
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 60636105
N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 80711534
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339084
1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 114974910
4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide
CID 107332937
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339639
2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
CID 103338613
2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
CID 82942832
2,5-difluoro-N-(2-methoxyethyl)-3-nitro-N-prop-2-enylbenzamide
CID 107122408
2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103338349
2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
CID 103461931

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide (CID 103339064) is 2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide is C=CCN(CCOC)C(=O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide?
The InChIKey is NMPDGHUXRQHUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c1-3-6-19(7-8-21-2)13(20)11-9-10(14(16,17)18)4-5-12(11)15/h3-5,9H,1,6-8H2,2H3.
What are the key properties of 2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide?
2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide has a molecular weight of 366.18 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 103339064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).