4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide

C14H12ClFN2O — CID 55102826

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
SMILESNc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C14H12ClFN2O/c15-11-4-1-9(2-5-11)8-18-14(19)10-3-6-13(17)12(16)7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyNXAITZTYJDZOJM-UHFFFAOYSA-N
MW278.71 g/mol
LogP2.99
Rot. Bonds3

About 4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide

4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide (PubChem CID 55102826) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
PubChem CID55102826
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
SMILESNc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C14H12ClFN2O/c15-11-4-1-9(2-5-11)8-18-14(19)10-3-6-13(17)12(16)7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyNXAITZTYJDZOJM-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

4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
4-amino-3-fluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 63188689
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
CID 107075151
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63183628

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide (CID 55102826) is 4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide is Nc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide?
The InChIKey is NXAITZTYJDZOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-4-1-9(2-5-11)8-18-14(19)10-3-6-13(17)12(16)7-10/h1-7H,8,17H2,(H,18,19).
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide?
4-amino-N-[(4-chlorophenyl)methyl]-3-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 4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 55102826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).