2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide

C18H16BrF2NO2 — CID 175519537

IUPAC2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(F)(F)Br)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H16BrF2NO2/c1-2-12-22(17(23)18(19,20)21)15-8-10-16(11-9-15)24-13-14-6-4-3-5-7-14/h2-11H,1,12-13H2
InChIKeyFKVGJDIPHGSRTM-UHFFFAOYSA-N
MW396.23 g/mol
LogP4.77
Rot. Bonds7

About 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide

2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide (PubChem CID 175519537) has the molecular formula C18H16BrF2NO2 and a molecular weight of 396.23 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide
PubChem CID175519537
Molecular FormulaC18H16BrF2NO2
Molecular Weight396.23 g/mol
Exact Mass395.03
IUPAC Name2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(F)(F)Br)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H16BrF2NO2/c1-2-12-22(17(23)18(19,20)21)15-8-10-16(11-9-15)24-13-14-6-4-3-5-7-14/h2-11H,1,12-13H2
InChIKeyFKVGJDIPHGSRTM-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide
CID 118052424
4-phenylmethoxybenzoic acid
CID 68896574
1-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 51050714
2-methyl-2-(4-phenylmethoxyphenyl)pent-4-enoic acid
CID 21347999
4-phenylmethoxybenzoyl fluoride
CID 154719359
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
3-[acetyl(prop-2-enyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115673
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
2-cyano-N-methyl-N-(4-phenylmethoxyphenyl)acetamide
CID 99824506
1-diphenylphosphoryl-4-phenylmethoxybenzene
CID 86086109
prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 141148449

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide (CID 175519537) is 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide is C=CCN(C(=O)C(F)(F)Br)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide?
The InChIKey is FKVGJDIPHGSRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2NO2/c1-2-12-22(17(23)18(19,20)21)15-8-10-16(11-9-15)24-13-14-6-4-3-5-7-14/h2-11H,1,12-13H2.
What are the key properties of 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide?
2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide has a molecular weight of 396.23 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-(4-phenylmethoxyphenyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 175519537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).