N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide

C22H17ClFNO3 — CID 58019879

IUPACN-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide
SMILESCOc1ccc(C(=O)c2ccc(NC(C)=O)cc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H17ClFNO3/c1-13(26)25-17-8-6-14(7-9-17)22(27)18-10-11-19(28-2)20(21(18)24)15-4-3-5-16(23)12-15/h3-12H,1-2H3,(H,25,26)
InChIKeyQRZUVFXRFTWBIW-UHFFFAOYSA-N
MW397.83 g/mol
LogP5.34
Rot. Bonds5

About N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide

N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide (PubChem CID 58019879) has the molecular formula C22H17ClFNO3 and a molecular weight of 397.83 g/mol. Its IUPAC name is N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide
PubChem CID58019879
Molecular FormulaC22H17ClFNO3
Molecular Weight397.83 g/mol
Exact Mass397.09
IUPAC NameN-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide
SMILESCOc1ccc(C(=O)c2ccc(NC(C)=O)cc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H17ClFNO3/c1-13(26)25-17-8-6-14(7-9-17)22(27)18-10-11-19(28-2)20(21(18)24)15-4-3-5-16(23)12-15/h3-12H,1-2H3,(H,25,26)
InChIKeyQRZUVFXRFTWBIW-UHFFFAOYSA-N
XLogP5.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.83
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methanone;[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]urea
CID 159705006
[4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea
CID 68790612
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
N-[4-(5-chloro-2-methylbenzoyl)phenyl]acetamide
CID 82883579
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
[4-[[3-(3-chlorophenyl)-4-(difluoromethoxy)-2-fluorophenyl]methyl]phenyl]urea
CID 69003911
N-[4-(2-fluorobenzoyl)phenyl]acetamide
CID 43337973
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide (CID 58019879) is N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide is COc1ccc(C(=O)c2ccc(NC(C)=O)cc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide?
The InChIKey is QRZUVFXRFTWBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO3/c1-13(26)25-17-8-6-14(7-9-17)22(27)18-10-11-19(28-2)20(21(18)24)15-4-3-5-16(23)12-15/h3-12H,1-2H3,(H,25,26).
What are the key properties of N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide?
N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide has a molecular weight of 397.83 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]acetamide is sourced from PubChem (CID 58019879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).