3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide

C20H15Cl2N3O2 — CID 7307107

IUPAC3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
SMILESCc1ccnc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)c1
InChIInChI=1S/C20H15Cl2N3O2/c1-12-7-8-23-18(9-12)25-20(27)13-3-2-4-15(10-13)24-19(26)14-5-6-16(21)17(22)11-14/h2-11H,1H3,(H,24,26)(H,23,25,27)
InChIKeySLSFBLVNFAXCGQ-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.20
Rot. Bonds4

About 3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide

3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide (PubChem CID 7307107) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
PubChem CID7307107
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
SMILESCc1ccnc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)c1
InChIInChI=1S/C20H15Cl2N3O2/c1-12-7-8-23-18(9-12)25-20(27)13-3-2-4-15(10-13)24-19(26)14-5-6-16(21)17(22)11-14/h2-11H,1H3,(H,24,26)(H,23,25,27)
InChIKeySLSFBLVNFAXCGQ-UHFFFAOYSA-N
XLogP5.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide (CID 7307107) is 3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide is Cc1ccnc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
The InChIKey is SLSFBLVNFAXCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c1-12-7-8-23-18(9-12)25-20(27)13-3-2-4-15(10-13)24-19(26)14-5-6-16(21)17(22)11-14/h2-11H,1H3,(H,24,26)(H,23,25,27).
What are the key properties of 3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide?
3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide has a molecular weight of 400.27 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 7307107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).