N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide

C17H18FN3O — CID 144995737

IUPACN-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide
SMILESC/C=C(/Nc1cc(F)ccc1N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H18FN3O/c1-3-16(21-17-10-13(18)6-9-15(17)19)12-4-7-14(8-5-12)20-11(2)22/h3-10,21H,19H2,1-2H3,(H,20,22)/b16-3+
InChIKeyKWJFVNRYSZRCJV-HQYXKAPLSA-N
MW299.35 g/mol
LogP3.84
Rot. Bonds4

About N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide

N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide (PubChem CID 144995737) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide
PubChem CID144995737
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide
SMILESC/C=C(/Nc1cc(F)ccc1N)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H18FN3O/c1-3-16(21-17-10-13(18)6-9-15(17)19)12-4-7-14(8-5-12)20-11(2)22/h3-10,21H,19H2,1-2H3,(H,20,22)/b16-3+
InChIKeyKWJFVNRYSZRCJV-HQYXKAPLSA-N
XLogP3.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetamidobenzoic acid;tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-fluorophenyl]carbamate;tert-butyl N-(2-amino-5-fluorophenyl)carbamate
CID 162113875
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
methyl 4-amino-3-[[7-(4-fluoroanilino)-7-oxoheptanoyl]amino]benzoate
CID 45255098
N-(2-amino-5-fluorophenyl)but-2-ynamide
CID 107990308
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
CID 142142758
N-[4-(3,5-difluorobenzoyl)phenyl]acetamide
CID 43337955
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide (CID 144995737) is N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide is C/C=C(/Nc1cc(F)ccc1N)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide?
The InChIKey is KWJFVNRYSZRCJV-HQYXKAPLSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-3-16(21-17-10-13(18)6-9-15(17)19)12-4-7-14(8-5-12)20-11(2)22/h3-10,21H,19H2,1-2H3,(H,20,22)/b16-3+.
What are the key properties of N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide?
N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide has a molecular weight of 299.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-1-(2-amino-5-fluoroanilino)prop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 144995737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).