5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide

C22H18ClFN2O3 — CID 55894052

IUPAC5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C22H18ClFN2O3/c1-29-20-9-8-16(23)12-19(20)22(28)25-13-14-4-2-7-18(10-14)26-21(27)15-5-3-6-17(24)11-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyFFWKWPRJQZWIAQ-UHFFFAOYSA-N
MW412.85 g/mol
LogP4.67
Rot. Bonds6

About 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide

5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide (PubChem CID 55894052) has the molecular formula C22H18ClFN2O3 and a molecular weight of 412.85 g/mol. Its IUPAC name is 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
PubChem CID55894052
Molecular FormulaC22H18ClFN2O3
Molecular Weight412.85 g/mol
Exact Mass412.10
IUPAC Name5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C22H18ClFN2O3/c1-29-20-9-8-16(23)12-19(20)22(28)25-13-14-4-2-7-18(10-14)26-21(27)15-5-3-6-17(24)11-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyFFWKWPRJQZWIAQ-UHFFFAOYSA-N
XLogP4.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929034
[4-[[3-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931962
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55892914
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
CID 63254170
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
tert-butyl N-[3-[3-[[(5-chloro-2-methoxybenzoyl)amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108921250
N-[(3-acetamidophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 39573373
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
N-[3-[[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 55893037

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide (CID 55894052) is 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide?
The InChIKey is FFWKWPRJQZWIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3/c1-29-20-9-8-16(23)12-19(20)22(28)25-13-14-4-2-7-18(10-14)26-21(27)15-5-3-6-17(24)11-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide?
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 412.85 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 55894052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).