6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid

C21H16Cl2N2O4 — CID 42601942

IUPAC6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)nc1
InChIInChI=1S/C21H16Cl2N2O4/c22-15-3-1-2-13(8-15)12-29-17-6-7-19(23)18(9-17)20(26)25-11-16-5-4-14(10-24-16)21(27)28/h1-10H,11-12H2,(H,25,26)(H,27,28)
InChIKeyUKGSFZLYHGRQMJ-UHFFFAOYSA-N
MW431.28 g/mol
LogP4.60
Rot. Bonds7

About 6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid

6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid (PubChem CID 42601942) has the molecular formula C21H16Cl2N2O4 and a molecular weight of 431.28 g/mol. Its IUPAC name is 6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid
PubChem CID42601942
Molecular FormulaC21H16Cl2N2O4
Molecular Weight431.28 g/mol
Exact Mass430.05
IUPAC Name6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)nc1
InChIInChI=1S/C21H16Cl2N2O4/c22-15-3-1-2-13(8-15)12-29-17-6-7-19(23)18(9-17)20(26)25-11-16-5-4-14(10-24-16)21(27)28/h1-10H,11-12H2,(H,25,26)(H,27,28)
InChIKeyUKGSFZLYHGRQMJ-UHFFFAOYSA-N
XLogP4.60
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid
CID 59608437
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
CID 24952552
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
4-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339706
2-[3-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
CID 24952187
2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid
CID 24952548
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738
1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone
CID 90444035
N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide
CID 16663789

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid (CID 42601942) is 6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(CNC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)nc1.
What is the InChIKey of 6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is UKGSFZLYHGRQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O4/c22-15-3-1-2-13(8-15)12-29-17-6-7-19(23)18(9-17)20(26)25-11-16-5-4-14(10-24-16)21(27)28/h1-10H,11-12H2,(H,25,26)(H,27,28).
What are the key properties of 6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid?
6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 431.28 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 42601942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).