4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide

C14H12ClFN2O2 — CID 62111611

IUPAC4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(COc2ccc(N)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H12ClFN2O2/c15-11-6-10(3-4-13(11)17)20-7-9-2-1-8(14(18)19)5-12(9)16/h1-6H,7,17H2,(H2,18,19)
InChIKeyUZTUCXKDPYUYDJ-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.74
Rot. Bonds4

About 4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide

4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide (PubChem CID 62111611) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
PubChem CID62111611
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(COc2ccc(N)c(Cl)c2)c(F)c1
InChIInChI=1S/C14H12ClFN2O2/c15-11-6-10(3-4-13(11)17)20-7-9-2-1-8(14(18)19)5-12(9)16/h1-6H,7,17H2,(H2,18,19)
InChIKeyUZTUCXKDPYUYDJ-UHFFFAOYSA-N
XLogP2.74
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
4-[(3-chloro-4-fluorophenoxy)methyl]-3-fluorobenzoic acid
CID 63879027
4-[(3-chloro-4-fluorophenoxy)methyl]-3-fluorobenzenecarbothioamide
CID 63879167
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
CID 65362266
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
4-[(4-amino-3-chlorophenyl)sulfinylmethyl]-3-fluorobenzamide
CID 81201890
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-fluorobenzamide
CID 107723748
4-[(4-chloro-3-ethylphenoxy)methyl]-3-fluorobenzoic acid
CID 63530976
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide (CID 62111611) is 4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide is NC(=O)c1ccc(COc2ccc(N)c(Cl)c2)c(F)c1.
What is the InChIKey of 4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide?
The InChIKey is UZTUCXKDPYUYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-11-6-10(3-4-13(11)17)20-7-9-2-1-8(14(18)19)5-12(9)16/h1-6H,7,17H2,(H2,18,19).
What are the key properties of 4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide?
4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide has a molecular weight of 294.71 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide is sourced from PubChem (CID 62111611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).