N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide

C21H18F2N2O2 — CID 37220850

IUPACN-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H18F2N2O2/c22-16-6-11-20(19(23)12-16)25-21(26)13-24-17-7-9-18(10-8-17)27-14-15-4-2-1-3-5-15/h1-12,24H,13-14H2,(H,25,26)
InChIKeyHCGCQTBYMJPHRF-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.59
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide

N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide (PubChem CID 37220850) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
PubChem CID37220850
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC NameN-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H18F2N2O2/c22-16-6-11-20(19(23)12-16)25-21(26)13-24-17-7-9-18(10-8-17)27-14-15-4-2-1-3-5-15/h1-12,24H,13-14H2,(H,25,26)
InChIKeyHCGCQTBYMJPHRF-UHFFFAOYSA-N
XLogP4.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 19648747
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
1-(2,4-difluorophenyl)-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 141080201
2-(4-phenylmethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37221138
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 9099796
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide (CID 37220850) is N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide is O=C(CNc1ccc(OCc2ccccc2)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide?
The InChIKey is HCGCQTBYMJPHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c22-16-6-11-20(19(23)12-16)25-21(26)13-24-17-7-9-18(10-8-17)27-14-15-4-2-1-3-5-15/h1-12,24H,13-14H2,(H,25,26).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide?
N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide has a molecular weight of 368.38 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide is sourced from PubChem (CID 37220850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).