2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide

C18H15Cl3FN3O3 — CID 138653570

IUPAC2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide
SMILESCONc1cc(F)cc(NC(=O)c2cc(NC(=O)C3CC3(Cl)Cl)ccc2Cl)c1
InChIInChI=1S/C18H15Cl3FN3O3/c1-28-25-12-5-9(22)4-11(6-12)24-16(26)13-7-10(2-3-15(13)19)23-17(27)14-8-18(14,20)21/h2-7,14,25H,8H2,1H3,(H,23,27)(H,24,26)
InChIKeyPGULSNKRUGGEQX-UHFFFAOYSA-N
MW446.69 g/mol
LogP4.84
Rot. Bonds6

About 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide

2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide (PubChem CID 138653570) has the molecular formula C18H15Cl3FN3O3 and a molecular weight of 446.69 g/mol. Its IUPAC name is 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide
PubChem CID138653570
Molecular FormulaC18H15Cl3FN3O3
Molecular Weight446.69 g/mol
Exact Mass445.02
IUPAC Name2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide
SMILESCONc1cc(F)cc(NC(=O)c2cc(NC(=O)C3CC3(Cl)Cl)ccc2Cl)c1
InChIInChI=1S/C18H15Cl3FN3O3/c1-28-25-12-5-9(22)4-11(6-12)24-16(26)13-7-10(2-3-15(13)19)23-17(27)14-8-18(14,20)21/h2-7,14,25H,8H2,1H3,(H,23,27)(H,24,26)
InChIKeyPGULSNKRUGGEQX-UHFFFAOYSA-N
XLogP4.84
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.69
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetamido-2,3,4-trifluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134417873
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide
CID 166988687
N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166992601
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 134418667
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 138652651
2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988628
N-[3-[(2-bromo-2,2-difluoroacetyl)amino]-2,4-difluorophenyl]-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134418265
N-[2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]phenyl]-5,6-difluoropyridine-3-carboxamide
CID 167224847
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichloro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122619130
2-chloro-N-[3-[(2-cyanoacetyl)-methylamino]-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988637
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-3-[(4,4,4-trifluoro-2-methylbutanoyl)amino]phenyl]benzamide
CID 138703133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide?
The IUPAC name of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide (CID 138653570) is 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide is CONc1cc(F)cc(NC(=O)c2cc(NC(=O)C3CC3(Cl)Cl)ccc2Cl)c1.
What is the InChIKey of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide?
The InChIKey is PGULSNKRUGGEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3FN3O3/c1-28-25-12-5-9(22)4-11(6-12)24-16(26)13-7-10(2-3-15(13)19)23-17(27)14-8-18(14,20)21/h2-7,14,25H,8H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide?
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide has a molecular weight of 446.69 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide is sourced from PubChem (CID 138653570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).