N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide

C22H14Cl2F2N4O4 — CID 142626372

IUPACN-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESNC(=O)N(C(=O)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H14Cl2F2N4O4/c23-14-9-8-13(10-15(14)24)30(21(27)33)20(32)11-4-6-12(7-5-11)28-22(34)29-19(31)18-16(25)2-1-3-17(18)26/h1-10H,(H2,27,33)(H2,28,29,31,34)
InChIKeyMLEAJPJOQWGAGT-UHFFFAOYSA-N
MW507.28 g/mol
LogP4.96
Rot. Bonds4

About N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 142626372) has the molecular formula C22H14Cl2F2N4O4 and a molecular weight of 507.28 g/mol. Its IUPAC name is N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID142626372
Molecular FormulaC22H14Cl2F2N4O4
Molecular Weight507.28 g/mol
Exact Mass506.04
IUPAC NameN-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESNC(=O)N(C(=O)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H14Cl2F2N4O4/c23-14-9-8-13(10-15(14)24)30(21(27)33)20(32)11-4-6-12(7-5-11)28-22(34)29-19(31)18-16(25)2-1-3-17(18)26/h1-10H,(H2,27,33)(H2,28,29,31,34)
InChIKeyMLEAJPJOQWGAGT-UHFFFAOYSA-N
XLogP4.96
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.28
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide (CID 142626372) is N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide is NC(=O)N(C(=O)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is MLEAJPJOQWGAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F2N4O4/c23-14-9-8-13(10-15(14)24)30(21(27)33)20(32)11-4-6-12(7-5-11)28-22(34)29-19(31)18-16(25)2-1-3-17(18)26/h1-10H,(H2,27,33)(H2,28,29,31,34).
What are the key properties of N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 507.28 g/mol, XLogP of 4.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 142626372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).