5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide

C17H17FN2O — CID 79968726

IUPAC5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2ccccc2C2CC2)ccc1F
InChIInChI=1S/C17H17FN2O/c18-16-8-7-13(9-15(16)17(19)21)20-10-12-3-1-2-4-14(12)11-5-6-11/h1-4,7-9,11,20H,5-6,10H2,(H2,19,21)
InChIKeyHOQBJWJBGVFNRA-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.41
Rot. Bonds5

About 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide

5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide (PubChem CID 79968726) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide
PubChem CID79968726
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2ccccc2C2CC2)ccc1F
InChIInChI=1S/C17H17FN2O/c18-16-8-7-13(9-15(16)17(19)21)20-10-12-3-1-2-4-14(12)11-5-6-11/h1-4,7-9,11,20H,5-6,10H2,(H2,19,21)
InChIKeyHOQBJWJBGVFNRA-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile
CID 79979673
5-(3,4-dihydro-2H-chromen-4-ylamino)-2-fluorobenzamide
CID 43705298
3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline
CID 107364179
2-[(3,4,5-trifluoroanilino)methyl]benzamide
CID 62809921
4-bromo-N-[(2-cyclopropylphenyl)methyl]-2,5-difluoroaniline
CID 107609725
methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43715405
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79884045
N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide
CID 138997507
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
2-fluoro-5-[[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]amino]benzamide
CID 51124467

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide?
The IUPAC name of 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide (CID 79968726) is 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide is NC(=O)c1cc(NCc2ccccc2C2CC2)ccc1F.
What is the InChIKey of 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide?
The InChIKey is HOQBJWJBGVFNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-16-8-7-13(9-15(16)17(19)21)20-10-12-3-1-2-4-14(12)11-5-6-11/h1-4,7-9,11,20H,5-6,10H2,(H2,19,21).
What are the key properties of 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide?
5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide has a molecular weight of 284.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide is sourced from PubChem (CID 79968726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).