2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide

C21H17Cl2N3O3 — CID 19072978

IUPAC2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
SMILESCc1cnc(Oc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2C)c(Cl)c1
InChIInChI=1S/C21H17Cl2N3O3/c1-12-9-17(23)20(24-11-12)29-18-8-7-14(10-13(18)2)25-21(28)26-19(27)15-5-3-4-6-16(15)22/h3-11H,1-2H3,(H2,25,26,27,28)
InChIKeyDCPXGZYKPFULGC-UHFFFAOYSA-N
MW430.29 g/mol
LogP5.76
Rot. Bonds4

About 2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide

2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide (PubChem CID 19072978) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is 2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
PubChem CID19072978
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC Name2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
SMILESCc1cnc(Oc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2C)c(Cl)c1
InChIInChI=1S/C21H17Cl2N3O3/c1-12-9-17(23)20(24-11-12)29-18-8-7-14(10-13(18)2)25-21(28)26-19(27)15-5-3-4-6-16(15)22/h3-11H,1-2H3,(H2,25,26,27,28)
InChIKeyDCPXGZYKPFULGC-UHFFFAOYSA-N
XLogP5.76
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.29
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
2-amino-N-[(3-methyl-4-pyrazin-2-yloxyphenyl)carbamoyl]benzamide
CID 129188553
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
2-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoylcarbamoyl]-N-hydroxybenzeneamine oxide
CID 21141267
N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide
CID 19900376
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-chloro-N-[[3-chloro-4-(2,4-dimethylphenoxy)-2,5-dimethylphenyl]carbamoyl]benzamide
CID 14626055
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
2-chloro-N-[[4-[(4-methylphenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524462
N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
CID 19072887

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide (CID 19072978) is 2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide is Cc1cnc(Oc2ccc(NC(=O)NC(=O)c3ccccc3Cl)cc2C)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide?
The InChIKey is DCPXGZYKPFULGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c1-12-9-17(23)20(24-11-12)29-18-8-7-14(10-13(18)2)25-21(28)26-19(27)15-5-3-4-6-16(15)22/h3-11H,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide?
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide has a molecular weight of 430.29 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide is sourced from PubChem (CID 19072978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).