2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid

C21H17Cl2N3O4 — CID 69191827

IUPAC2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cn2)c1
InChIInChI=1S/C21H17Cl2N3O4/c22-17-6-4-14(9-18(17)23)21(29)26-15-5-7-19(25-11-15)30-16-3-1-2-13(8-16)10-24-12-20(27)28/h1-9,11,24H,10,12H2,(H,26,29)(H,27,28)
InChIKeyCVRIQXKSYWBZBG-UHFFFAOYSA-N
MW446.29 g/mol
LogP4.61
Rot. Bonds8

About 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid

2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid (PubChem CID 69191827) has the molecular formula C21H17Cl2N3O4 and a molecular weight of 446.29 g/mol. Its IUPAC name is 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid
PubChem CID69191827
Molecular FormulaC21H17Cl2N3O4
Molecular Weight446.29 g/mol
Exact Mass445.06
IUPAC Name2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cn2)c1
InChIInChI=1S/C21H17Cl2N3O4/c22-17-6-4-14(9-18(17)23)21(29)26-15-5-7-19(25-11-15)30-16-3-1-2-13(8-16)10-24-12-20(27)28/h1-9,11,24H,10,12H2,(H,26,29)(H,27,28)
InChIKeyCVRIQXKSYWBZBG-UHFFFAOYSA-N
XLogP4.61
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic 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
N-[6-[4-(2-amino-2-hydroxyiminoethyl)phenoxy]-3-pyridinyl]-3,4-dichlorobenzamide
CID 86616532
3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide
CID 68527291
ethyl 5-[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]pentanoate
CID 68525138
3,4-dichloro-N-[6-[4-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]phenoxy]-3-pyridinyl]benzamide
CID 87483944
3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
CID 18673945
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11316000
3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide
CID 87952683
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527638
2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid
CID 141132288
1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 67006872

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid (CID 69191827) is 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid is O=C(O)CNCc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cn2)c1.
What is the InChIKey of 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid?
The InChIKey is CVRIQXKSYWBZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O4/c22-17-6-4-14(9-18(17)23)21(29)26-15-5-7-19(25-11-15)30-16-3-1-2-13(8-16)10-24-12-20(27)28/h1-9,11,24H,10,12H2,(H,26,29)(H,27,28).
What are the key properties of 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid?
2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid has a molecular weight of 446.29 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid is sourced from PubChem (CID 69191827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).