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

C14H12ClFN2O — CID 43705170

IUPAC5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2ccccc2Cl)ccc1F
InChIInChI=1S/C14H12ClFN2O/c15-12-4-2-1-3-9(12)8-18-10-5-6-13(16)11(7-10)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyIDLJZDAFFZRXID-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.19
Rot. Bonds4

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

5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide (PubChem CID 43705170) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
PubChem CID43705170
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2ccccc2Cl)ccc1F
InChIInChI=1S/C14H12ClFN2O/c15-12-4-2-1-3-9(12)8-18-10-5-6-13(16)11(7-10)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyIDLJZDAFFZRXID-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.19
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-cyclopropylphenyl)methylamino]-2-fluorobenzamide
CID 79968726
2-amino-5-[(2-chlorophenyl)methylamino]benzoic acid
CID 54887803
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide
CID 83236587
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
CID 43713579
2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide
CID 51102571
methyl 5-[(2,4-dichlorophenyl)methylamino]-2-fluorobenzoate
CID 43715392
5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
CID 114487296
5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide
CID 102832679

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide (CID 43705170) is 5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide is NC(=O)c1cc(NCc2ccccc2Cl)ccc1F.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide?
The InChIKey is IDLJZDAFFZRXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-12-4-2-1-3-9(12)8-18-10-5-6-13(16)11(7-10)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide?
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide has a molecular weight of 278.71 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide is sourced from PubChem (CID 43705170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).