N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide

C22H18ClFN2O2 — CID 143125922

IUPACN-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
SMILESC=C(N)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18ClFN2O2/c1-14(25)16-4-2-15(3-5-16)13-26-22(27)20-12-17(23)6-11-21(20)28-19-9-7-18(24)8-10-19/h2-12H,1,13,25H2,(H,26,27)
InChIKeyVWVYKWAGLLPSEO-UHFFFAOYSA-N
MW396.85 g/mol
LogP5.13
Rot. Bonds6

About N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide

N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide (PubChem CID 143125922) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
PubChem CID143125922
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC NameN-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
SMILESC=C(N)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18ClFN2O2/c1-14(25)16-4-2-15(3-5-16)13-26-22(27)20-12-17(23)6-11-21(20)28-19-9-7-18(24)8-10-19/h2-12H,1,13,25H2,(H,26,27)
InChIKeyVWVYKWAGLLPSEO-UHFFFAOYSA-N
XLogP5.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.85
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid;methyl 4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 162055040
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]-2-fluorobenzoic acid
CID 58905326
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155946391
N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155948994
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
methyl 4-[[[5-(3-chlorophenyl)-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 154628595
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
N-[[4-[1-(2-butan-2-ylhydrazinyl)ethenyl]phenyl]methyl]-5-fluoro-2-(4-fluorophenoxy)benzamide
CID 143009923
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide?
The IUPAC name of N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide (CID 143125922) is N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide.
What is the SMILES notation for N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide?
The canonical SMILES for N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide is C=C(N)c1ccc(CNC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide?
The InChIKey is VWVYKWAGLLPSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c1-14(25)16-4-2-15(3-5-16)13-26-22(27)20-12-17(23)6-11-21(20)28-19-9-7-18(24)8-10-19/h2-12H,1,13,25H2,(H,26,27).
What are the key properties of N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide?
N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide has a molecular weight of 396.85 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide is sourced from PubChem (CID 143125922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).