N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide

C23H18ClF2N3O4 — CID 11465633

IUPACN-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(N)=O)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C23H18ClF2N3O4/c1-33-20-7-2-12(23(32)28-11-21(27)30)8-16(20)22(31)15-5-4-14(10-17(15)24)29-19-6-3-13(25)9-18(19)26/h2-10,29H,11H2,1H3,(H2,27,30)(H,28,32)
InChIKeyDZHXGQRSQQZDEH-UHFFFAOYSA-N
MW473.86 g/mol
LogP3.82
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide

N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide (PubChem CID 11465633) has the molecular formula C23H18ClF2N3O4 and a molecular weight of 473.86 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide
PubChem CID11465633
Molecular FormulaC23H18ClF2N3O4
Molecular Weight473.86 g/mol
Exact Mass473.10
IUPAC NameN-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(N)=O)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C23H18ClF2N3O4/c1-33-20-7-2-12(23(32)28-11-21(27)30)8-16(20)22(31)15-5-4-14(10-17(15)24)29-19-6-3-13(25)9-18(19)26/h2-10,29H,11H2,1H3,(H2,27,30)(H,28,32)
InChIKeyDZHXGQRSQQZDEH-UHFFFAOYSA-N
XLogP3.82
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.86
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxyphenyl]methyl acetate
CID 58677687
4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide
CID 58677556
N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide
CID 11409234
3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide
CID 141106486
[4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone
CID 142171196
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
[4-[[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzoyl]amino]thiophen-3-yl] methyl carbonate
CID 67457451
N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129078
2-chloro-4-(2,4-difluoroanilino)-N-(4-methylbenzoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90959874
2-(3-chloro-4-methoxyanilino)-5-fluorobenzenecarbothioamide
CID 63674872
[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-methoxybenzoate
CID 91642897

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide (CID 11465633) is N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(N)=O)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide?
The InChIKey is DZHXGQRSQQZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O4/c1-33-20-7-2-12(23(32)28-11-21(27)30)8-16(20)22(31)15-5-4-14(10-17(15)24)29-19-6-3-13(25)9-18(19)26/h2-10,29H,11H2,1H3,(H2,27,30)(H,28,32).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide?
N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide has a molecular weight of 473.86 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methoxybenzamide is sourced from PubChem (CID 11465633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).