2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide

C14H12ClFN2O — CID 62073957

IUPAC2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFN2O/c15-10-3-1-9(2-4-10)8-18-14(19)12-6-5-11(16)7-13(12)17/h1-7H,8,17H2,(H,18,19)
InChIKeyFBZHCBCOTSFKCZ-UHFFFAOYSA-N
MW278.71 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide

2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide (PubChem CID 62073957) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
PubChem CID62073957
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFN2O/c15-10-3-1-9(2-4-10)8-18-14(19)12-6-5-11(16)7-13(12)17/h1-7H,8,17H2,(H,18,19)
InChIKeyFBZHCBCOTSFKCZ-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 52.99
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

2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
CID 106899083
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
2-amino-N-[(4-chlorophenyl)methyl]-4-nitrobenzamide
CID 67362358
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide (CID 62073957) is 2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide?
The InChIKey is FBZHCBCOTSFKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-10-3-1-9(2-4-10)8-18-14(19)12-6-5-11(16)7-13(12)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide?
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide has a molecular weight of 278.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 62073957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).