2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid

C25H24Cl2N2O5 — CID 141132288

IUPAC2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid
SMILESCCOc1cc(CC(CC)C(=O)O)ccc1Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C25H24Cl2N2O5/c1-3-16(25(31)32)11-15-5-9-21(22(12-15)33-4-2)34-23-10-7-18(14-28-23)29-24(30)17-6-8-19(26)20(27)13-17/h5-10,12-14,16H,3-4,11H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyNXRCETABVCTQCC-UHFFFAOYSA-N
MW503.38 g/mol
LogP6.49
Rot. Bonds10

About 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid

2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid (PubChem CID 141132288) has the molecular formula C25H24Cl2N2O5 and a molecular weight of 503.38 g/mol. Its IUPAC name is 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid
PubChem CID141132288
Molecular FormulaC25H24Cl2N2O5
Molecular Weight503.38 g/mol
Exact Mass502.11
IUPAC Name2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid
SMILESCCOc1cc(CC(CC)C(=O)O)ccc1Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C25H24Cl2N2O5/c1-3-16(25(31)32)11-15-5-9-21(22(12-15)33-4-2)34-23-10-7-18(14-28-23)29-24(30)17-6-8-19(26)20(27)13-17/h5-10,12-14,16H,3-4,11H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyNXRCETABVCTQCC-UHFFFAOYSA-N
XLogP6.49
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.38
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid with MolForge

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Related Compounds

2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]butanoic acid
CID 68527065
3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
CID 18673945
ethyl 5-[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]pentanoate
CID 68525138
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
N-[6-[4-(2-amino-2-hydroxyiminoethyl)phenoxy]-3-pyridinyl]-3,4-dichlorobenzamide
CID 86616532
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-4-methylbenzamide
CID 40541033
ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate
CID 70985167
2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid
CID 69191827
3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide
CID 68527291
4-chloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-nitrobenzamide
CID 19338598
3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide
CID 87952683

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid?
The IUPAC name of 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid (CID 141132288) is 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid.
What is the SMILES notation for 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid?
The canonical SMILES for 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid is CCOc1cc(CC(CC)C(=O)O)ccc1Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid?
The InChIKey is NXRCETABVCTQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O5/c1-3-16(25(31)32)11-15-5-9-21(22(12-15)33-4-2)34-23-10-7-18(14-28-23)29-24(30)17-6-8-19(26)20(27)13-17/h5-10,12-14,16H,3-4,11H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid?
2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid has a molecular weight of 503.38 g/mol, XLogP of 6.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid is sourced from PubChem (CID 141132288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).