5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide

C22H19ClFNO3 — CID 100529367

IUPAC5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H19ClFNO3/c1-27-21-11-6-17(23)12-20(21)22(26)25-13-15-4-9-19(10-5-15)28-14-16-2-7-18(24)8-3-16/h2-12H,13-14H2,1H3,(H,25,26)
InChIKeyQAZVXPCGHVXEKJ-UHFFFAOYSA-N
MW399.85 g/mol
LogP5.00
Rot. Bonds7

About 5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide

5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide (PubChem CID 100529367) has the molecular formula C22H19ClFNO3 and a molecular weight of 399.85 g/mol. Its IUPAC name is 5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
PubChem CID100529367
Molecular FormulaC22H19ClFNO3
Molecular Weight399.85 g/mol
Exact Mass399.10
IUPAC Name5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H19ClFNO3/c1-27-21-11-6-17(23)12-20(21)22(26)25-13-15-4-9-19(10-5-15)28-14-16-2-7-18(24)8-3-16/h2-12H,13-14H2,1H3,(H,25,26)
InChIKeyQAZVXPCGHVXEKJ-UHFFFAOYSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715760
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
ethyl 2-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenoxy]acetate
CID 154145410
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155946391
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 30222085
N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 143125922
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid;methyl 4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 162055040
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
5-chloro-N-[3-(4-fluorophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90548144

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide (CID 100529367) is 5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide?
The InChIKey is QAZVXPCGHVXEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO3/c1-27-21-11-6-17(23)12-20(21)22(26)25-13-15-4-9-19(10-5-15)28-14-16-2-7-18(24)8-3-16/h2-12H,13-14H2,1H3,(H,25,26).
What are the key properties of 5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide?
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 399.85 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 100529367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).