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

C14H13FN2O — CID 55083550

IUPACN-[(3-aminophenyl)methyl]-4-fluorobenzamide
SMILESNc1cccc(CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2O/c15-12-6-4-11(5-7-12)14(18)17-9-10-2-1-3-13(16)8-10/h1-8H,9,16H2,(H,17,18)
InChIKeyASQFLHSTZRLGIG-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.34
Rot. Bonds3

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

N-[(3-aminophenyl)methyl]-4-fluorobenzamide (PubChem CID 55083550) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-fluorobenzamide
PubChem CID55083550
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC NameN-[(3-aminophenyl)methyl]-4-fluorobenzamide
SMILESNc1cccc(CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2O/c15-12-6-4-11(5-7-12)14(18)17-9-10-2-1-3-13(16)8-10/h1-8H,9,16H2,(H,17,18)
InChIKeyASQFLHSTZRLGIG-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-2,4-difluorobenzamide
CID 62499463
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
N-[(3-aminophenyl)methyl]-3,5-dichlorobenzamide
CID 62499613
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 62499945
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
N-[(3-aminophenyl)methyl]-4-chloro-2,5-difluorobenzamide
CID 82783098
1-[(3-aminophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 62498968

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-fluorobenzamide (CID 55083550) is N-[(3-aminophenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-fluorobenzamide is Nc1cccc(CNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-fluorobenzamide?
The InChIKey is ASQFLHSTZRLGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-12-6-4-11(5-7-12)14(18)17-9-10-2-1-3-13(16)8-10/h1-8H,9,16H2,(H,17,18).
What are the key properties of N-[(3-aminophenyl)methyl]-4-fluorobenzamide?
N-[(3-aminophenyl)methyl]-4-fluorobenzamide has a molecular weight of 244.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 55083550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).