N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide

C23H18ClN3O3 — CID 176683010

IUPACN-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide
SMILESCn1ccc(-c2cc(Oc3ccc(O)c(C(=O)Nc4cccc(Cl)c4)c3)ccn2)c1
InChIInChI=1S/C23H18ClN3O3/c1-27-10-8-15(14-27)21-13-19(7-9-25-21)30-18-5-6-22(28)20(12-18)23(29)26-17-4-2-3-16(24)11-17/h2-14,28H,1H3,(H,26,29)
InChIKeyKYEDUQQELQCQHW-UHFFFAOYSA-N
MW419.87 g/mol
LogP5.49
Rot. Bonds5

About N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide

N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide (PubChem CID 176683010) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide
PubChem CID176683010
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide
SMILESCn1ccc(-c2cc(Oc3ccc(O)c(C(=O)Nc4cccc(Cl)c4)c3)ccn2)c1
InChIInChI=1S/C23H18ClN3O3/c1-27-10-8-15(14-27)21-13-19(7-9-25-21)30-18-5-6-22(28)20(12-18)23(29)26-17-4-2-3-16(24)11-17/h2-14,28H,1H3,(H,26,29)
InChIKeyKYEDUQQELQCQHW-UHFFFAOYSA-N
XLogP5.49
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]naphthalene-1-carboxamide
CID 23649066
N-(3-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602012
N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635398
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
2-imidazol-1-yl-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]benzamide;3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]aniline
CID 158680667
N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide
CID 23649174
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 70853824
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
N-(3-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443324
N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550042
4-chloro-N-[3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 23649362

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide (CID 176683010) is N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide is Cn1ccc(-c2cc(Oc3ccc(O)c(C(=O)Nc4cccc(Cl)c4)c3)ccn2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide?
The InChIKey is KYEDUQQELQCQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-27-10-8-15(14-27)21-13-19(7-9-25-21)30-18-5-6-22(28)20(12-18)23(29)26-17-4-2-3-16(24)11-17/h2-14,28H,1H3,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide?
N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide has a molecular weight of 419.87 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-hydroxy-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 176683010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).