N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide

C17H17FN2O — CID 43460553

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
SMILESNc1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)cc1
InChIInChI=1S/C17H17FN2O/c18-14-3-1-2-13(10-14)17(21)20(16-8-9-16)11-12-4-6-15(19)7-5-12/h1-7,10,16H,8-9,11,19H2
InChIKeyXUVSBIIQFRPNNC-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.21
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide

N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide (PubChem CID 43460553) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
PubChem CID43460553
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
SMILESNc1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)cc1
InChIInChI=1S/C17H17FN2O/c18-14-3-1-2-13(10-14)17(21)20(16-8-9-16)11-12-4-6-15(19)7-5-12/h1-7,10,16H,8-9,11,19H2
InChIKeyXUVSBIIQFRPNNC-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
CID 38363519
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 103754314
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62788943
N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 23824862
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
N-(2-aminocyclohexyl)-N-[(4-benzamidophenyl)methyl]-3-fluorobenzamide
CID 23904820

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide (CID 43460553) is N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide is Nc1ccc(CN(C(=O)c2cccc(F)c2)C2CC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide?
The InChIKey is XUVSBIIQFRPNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-3-1-2-13(10-14)17(21)20(16-8-9-16)11-12-4-6-15(19)7-5-12/h1-7,10,16H,8-9,11,19H2.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide?
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide has a molecular weight of 284.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide is sourced from PubChem (CID 43460553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).