2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide

C21H15Cl2FN2O3 — CID 46823403

IUPAC2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C21H15Cl2FN2O3/c1-29-15-8-6-14(7-9-15)25-20(27)12-2-4-13(5-3-12)26-21(28)16-10-19(24)18(23)11-17(16)22/h2-11H,1H3,(H,25,27)(H,26,28)
InChIKeyLYYPLYXIQFVODV-UHFFFAOYSA-N
MW433.27 g/mol
LogP5.65
Rot. Bonds5

About 2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide

2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide (PubChem CID 46823403) has the molecular formula C21H15Cl2FN2O3 and a molecular weight of 433.27 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
PubChem CID46823403
Molecular FormulaC21H15Cl2FN2O3
Molecular Weight433.27 g/mol
Exact Mass432.04
IUPAC Name2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C21H15Cl2FN2O3/c1-29-15-8-6-14(7-9-15)25-20(27)12-2-4-13(5-3-12)26-21(28)16-10-19(24)18(23)11-17(16)22/h2-11H,1H3,(H,25,27)(H,26,28)
InChIKeyLYYPLYXIQFVODV-UHFFFAOYSA-N
XLogP5.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.27
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573
2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116203
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide (CID 46823403) is 2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is LYYPLYXIQFVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN2O3/c1-29-15-8-6-14(7-9-15)25-20(27)12-2-4-13(5-3-12)26-21(28)16-10-19(24)18(23)11-17(16)22/h2-11H,1H3,(H,25,27)(H,26,28).
What are the key properties of 2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide?
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 433.27 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 46823403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).