4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide

C22H16Cl2F2N2O3 — CID 58677556

IUPAC4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(Cl)c(C(=O)c2ccc(Nc3ccc(F)cc3F)cc2Cl)c1
InChIInChI=1S/C22H16Cl2F2N2O3/c23-17-5-1-12(22(31)27-7-8-29)9-16(17)21(30)15-4-3-14(11-18(15)24)28-20-6-2-13(25)10-19(20)26/h1-6,9-11,28-29H,7-8H2,(H,27,31)
InChIKeyQCBUCVKVOCQGHV-UHFFFAOYSA-N
MW465.28 g/mol
LogP4.97
Rot. Bonds7

About 4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide

4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 58677556) has the molecular formula C22H16Cl2F2N2O3 and a molecular weight of 465.28 g/mol. Its IUPAC name is 4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide
PubChem CID58677556
Molecular FormulaC22H16Cl2F2N2O3
Molecular Weight465.28 g/mol
Exact Mass464.05
IUPAC Name4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(Cl)c(C(=O)c2ccc(Nc3ccc(F)cc3F)cc2Cl)c1
InChIInChI=1S/C22H16Cl2F2N2O3/c23-17-5-1-12(22(31)27-7-8-29)9-16(17)21(30)15-4-3-14(11-18(15)24)28-20-6-2-13(25)10-19(20)26/h1-6,9-11,28-29H,7-8H2,(H,27,31)
InChIKeyQCBUCVKVOCQGHV-UHFFFAOYSA-N
XLogP4.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.28
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide
CID 11409234
3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(1-hydroxybutan-2-yl)-4-methylbenzamide
CID 58677675
[5-[(Z)-1-amino-2-(2-hydroxyethylamino)ethenyl]-2-methylphenyl]-[2-chloro-4-(2,4-difluoroanilino)phenyl]methanone
CID 143241599
N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide
CID 11465633
3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide
CID 141106486
3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide
CID 58677526
3-[2-chloro-4-(4-chloro-2-fluoroanilino)benzoyl]-4-methylbenzoyl chloride
CID 87352750
[4-[[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzoyl]amino]thiophen-3-yl] methyl carbonate
CID 67457451
2-chloro-4-(2,4-difluoroanilino)-N-(4-methylbenzoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90959874
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 58677587
4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-(2-hydroxyethyl)cyclohexa-2,5-diene-1-carboxamide
CID 67314035
[2-chloro-4-(2,4-difluoroanilino)phenyl]-[5-[4-(hydroxymethyl)triazol-1-yl]-2-methylphenyl]methanone
CID 11633875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide (CID 58677556) is 4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(Cl)c(C(=O)c2ccc(Nc3ccc(F)cc3F)cc2Cl)c1.
What is the InChIKey of 4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is QCBUCVKVOCQGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2F2N2O3/c23-17-5-1-12(22(31)27-7-8-29)9-16(17)21(30)15-4-3-14(11-18(15)24)28-20-6-2-13(25)10-19(20)26/h1-6,9-11,28-29H,7-8H2,(H,27,31).
What are the key properties of 4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide?
4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 465.28 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 58677556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).