N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide

C18H16Cl3N3O2 — CID 138652651

IUPACN-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
SMILESCc1cc(N)ccc1NC(=O)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl
InChIInChI=1S/C18H16Cl3N3O2/c1-9-6-10(22)2-5-15(9)24-16(25)12-7-11(3-4-14(12)19)23-17(26)13-8-18(13,20)21/h2-7,13H,8,22H2,1H3,(H,23,26)(H,24,25)
InChIKeyXGZIDVYYCUIMNH-UHFFFAOYSA-N
MW412.70 g/mol
LogP4.62
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide

N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide (PubChem CID 138652651) has the molecular formula C18H16Cl3N3O2 and a molecular weight of 412.70 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
PubChem CID138652651
Molecular FormulaC18H16Cl3N3O2
Molecular Weight412.70 g/mol
Exact Mass411.03
IUPAC NameN-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
SMILESCc1cc(N)ccc1NC(=O)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl
InChIInChI=1S/C18H16Cl3N3O2/c1-9-6-10(22)2-5-15(9)24-16(25)12-7-11(3-4-14(12)19)23-17(26)13-8-18(13,20)21/h2-7,13H,8,22H2,1H3,(H,23,26)(H,24,25)
InChIKeyXGZIDVYYCUIMNH-UHFFFAOYSA-N
XLogP4.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122617892
N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166992601
N-(5-acetamido-2,3,4-trifluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134417873
N-(4-amino-2-methylphenyl)-5-[[(1S,3S)-3-(4-bromo-3-chlorophenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chlorobenzamide
CID 122618458
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide
CID 166988687
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 134418667
2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988628
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide
CID 138653570
2-chloro-N-[3-[(2-cyanoacetyl)-methylamino]-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988637
N-[3-[(2-bromo-2,2-difluoroacetyl)amino]-2,4-difluorophenyl]-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134418265
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-3-[(4,4,4-trifluoro-2-methylbutanoyl)amino]phenyl]benzamide
CID 138703133
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide (CID 138652651) is N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide is Cc1cc(N)ccc1NC(=O)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The InChIKey is XGZIDVYYCUIMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3O2/c1-9-6-10(22)2-5-15(9)24-16(25)12-7-11(3-4-14(12)19)23-17(26)13-8-18(13,20)21/h2-7,13H,8,22H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide has a molecular weight of 412.70 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 138652651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).