N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

C20H16Cl4N2O2 — CID 122615693

IUPACN-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c1
InChIInChI=1S/C20H16Cl4N2O2/c21-12-6-11(7-13(22)9-12)16-17(20(16,23)24)19(28)26-15-3-1-2-10(8-15)18(27)25-14-4-5-14/h1-3,6-9,14,16-17H,4-5H2,(H,25,27)(H,26,28)/t16-,17+/m1/s1
InChIKeyJLGLUSUKRKYUTA-SJORKVTESA-N
MW458.17 g/mol
LogP5.41
Rot. Bonds5

About N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide

N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 122615693) has the molecular formula C20H16Cl4N2O2 and a molecular weight of 458.17 g/mol. Its IUPAC name is N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
PubChem CID122615693
Molecular FormulaC20H16Cl4N2O2
Molecular Weight458.17 g/mol
Exact Mass456.00
IUPAC NameN-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c1
InChIInChI=1S/C20H16Cl4N2O2/c21-12-6-11(7-13(22)9-12)16-17(20(16,23)24)19(28)26-15-3-1-2-10(8-15)18(27)25-14-4-5-14/h1-3,6-9,14,16-17H,4-5H2,(H,25,27)(H,26,28)/t16-,17+/m1/s1
InChIKeyJLGLUSUKRKYUTA-SJORKVTESA-N
XLogP5.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.17
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4,4-difluorocyclohexyl)benzamide
CID 122615203
N-(2-cyano-4-fluorophenyl)-3-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618171
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(oxetan-3-yl)benzamide
CID 122615333
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
[4-[[3-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]benzoyl]amino]-3-methylphenyl]carbamic acid
CID 122617921
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,6-difluorophenyl)benzamide
CID 122619381
2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-oxocyclohexyl)benzamide
CID 122615409
N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide
CID 46536638
2-chloro-N-(4-chloro-3-hydroxyphenyl)-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 146269473
2,2-dichloro-N-[4-chloro-3-[(phenylcarbamoylamino)carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 134418882

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide (CID 122615693) is N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2[C@@H](c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c1.
What is the InChIKey of N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
The InChIKey is JLGLUSUKRKYUTA-SJORKVTESA-N. The full InChI is InChI=1S/C20H16Cl4N2O2/c21-12-6-11(7-13(22)9-12)16-17(20(16,23)24)19(28)26-15-3-1-2-10(8-15)18(27)25-14-4-5-14/h1-3,6-9,14,16-17H,4-5H2,(H,25,27)(H,26,28)/t16-,17+/m1/s1.
What are the key properties of N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide?
N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 458.17 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 122615693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).