N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide

C15H13ClF2N2O — CID 82771924

IUPACN-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
SMILESNCc1ccccc1CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H13ClF2N2O/c16-12-6-13(17)11(5-14(12)18)15(21)20-8-10-4-2-1-3-9(10)7-19/h1-6H,7-8,19H2,(H,20,21)
InChIKeyQTULYAKSGRQLRU-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.01
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide

N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide (PubChem CID 82771924) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
PubChem CID82771924
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
SMILESNCc1ccccc1CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H13ClF2N2O/c16-12-6-13(17)11(5-14(12)18)15(21)20-8-10-4-2-1-3-9(10)7-19/h1-6H,7-8,19H2,(H,20,21)
InChIKeyQTULYAKSGRQLRU-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide
CID 81461744
2-chloro-4,5-difluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110909050
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
CID 106862102
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
N-[(3-aminophenyl)methyl]-4-chloro-2,5-difluorobenzamide
CID 82783098
N-[[2-(aminomethyl)phenyl]methyl]-5-fluoro-2-hydroxybenzamide
CID 115299371
N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
CID 82783569
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
CID 107183203
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077
2,4-dichloro-5-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24676423

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide (CID 82771924) is N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide is NCc1ccccc1CNC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide?
The InChIKey is QTULYAKSGRQLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c16-12-6-13(17)11(5-14(12)18)15(21)20-8-10-4-2-1-3-9(10)7-19/h1-6H,7-8,19H2,(H,20,21).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide has a molecular weight of 310.73 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 82771924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).