N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide

C24H22ClFN2O4 — CID 2103386

IUPACN-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
SMILESCCOc1cc(NC(=O)c2ccc(F)cc2Cl)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H22ClFN2O4/c1-3-31-21-14-20(28-24(30)17-11-10-16(26)12-18(17)25)22(32-4-2)13-19(21)27-23(29)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyPWEKRZGMGXGVFH-UHFFFAOYSA-N
MW456.90 g/mol
LogP5.78
Rot. Bonds8

About N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide

N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide (PubChem CID 2103386) has the molecular formula C24H22ClFN2O4 and a molecular weight of 456.90 g/mol. Its IUPAC name is N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
PubChem CID2103386
Molecular FormulaC24H22ClFN2O4
Molecular Weight456.90 g/mol
Exact Mass456.13
IUPAC NameN-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
SMILESCCOc1cc(NC(=O)c2ccc(F)cc2Cl)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H22ClFN2O4/c1-3-31-21-14-20(28-24(30)17-11-10-16(26)12-18(17)25)22(32-4-2)13-19(21)27-23(29)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyPWEKRZGMGXGVFH-UHFFFAOYSA-N
XLogP5.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.90
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
CID 55900045
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686426
2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
CID 26212713
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-(4-amino-2-chloro-5-ethoxyphenyl)benzamide
CID 23464367
N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
CID 43008457
N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 1172430
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide (CID 2103386) is N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide is CCOc1cc(NC(=O)c2ccc(F)cc2Cl)c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide?
The InChIKey is PWEKRZGMGXGVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O4/c1-3-31-21-14-20(28-24(30)17-11-10-16(26)12-18(17)25)22(32-4-2)13-19(21)27-23(29)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide?
N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide has a molecular weight of 456.90 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 2103386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).