2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide

C17H12Cl4N2O2 — CID 19006403

IUPAC2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(C2C(Cl)C2Cl)cc1
InChIInChI=1S/C17H12Cl4N2O2/c18-10-2-1-3-11(19)13(10)16(24)23-17(25)22-9-6-4-8(5-7-9)12-14(20)15(12)21/h1-7,12,14-15H,(H2,22,23,24,25)
InChIKeyWNAPNARRIRXRRI-UHFFFAOYSA-N
MW418.11 g/mol
LogP5.27
Rot. Bonds3

About 2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide

2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide (PubChem CID 19006403) has the molecular formula C17H12Cl4N2O2 and a molecular weight of 418.11 g/mol. Its IUPAC name is 2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide
PubChem CID19006403
Molecular FormulaC17H12Cl4N2O2
Molecular Weight418.11 g/mol
Exact Mass415.97
IUPAC Name2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(C2C(Cl)C2Cl)cc1
InChIInChI=1S/C17H12Cl4N2O2/c18-10-2-1-3-11(19)13(10)16(24)23-17(25)22-9-6-4-8(5-7-9)12-14(20)15(12)21/h1-7,12,14-15H,(H2,22,23,24,25)
InChIKeyWNAPNARRIRXRRI-UHFFFAOYSA-N
XLogP5.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.11
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-hydroxy-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19808580
1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea
CID 134118825
2,6-dichloro-N-[(3-chloro-4-methylsulfonylphenyl)carbamoyl]benzamide
CID 22614284
2,6-dichloro-N-[(3-chloro-4-nitrophenyl)carbamoyl]benzamide
CID 19006407
2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
CID 23455386
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
2,6-dichloro-N-[[4-[4-(4-chlorophenyl)sulfonyl-3,5-dimethylphenoxy]phenyl]carbamoyl]benzamide
CID 67654433
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
CID 21313073
N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide
CID 12912870

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide (CID 19006403) is 2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(C2C(Cl)C2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide?
The InChIKey is WNAPNARRIRXRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl4N2O2/c18-10-2-1-3-11(19)13(10)16(24)23-17(25)22-9-6-4-8(5-7-9)12-14(20)15(12)21/h1-7,12,14-15H,(H2,22,23,24,25).
What are the key properties of 2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide?
2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide has a molecular weight of 418.11 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 19006403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).