2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide

C17H16Cl3N3O — CID 55723456

IUPAC2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNc1ncc(Cl)cc1Cl)C1CC1c1ccccc1Cl
InChIInChI=1S/C17H16Cl3N3O/c18-10-7-15(20)16(23-9-10)21-5-6-22-17(24)13-8-12(13)11-3-1-2-4-14(11)19/h1-4,7,9,12-13H,5-6,8H2,(H,21,23)(H,22,24)
InChIKeyVAQVJHIRZHFYGS-UHFFFAOYSA-N
MW384.69 g/mol
LogP4.37
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide (PubChem CID 55723456) has the molecular formula C17H16Cl3N3O and a molecular weight of 384.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide
PubChem CID55723456
Molecular FormulaC17H16Cl3N3O
Molecular Weight384.69 g/mol
Exact Mass383.04
IUPAC Name2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNc1ncc(Cl)cc1Cl)C1CC1c1ccccc1Cl
InChIInChI=1S/C17H16Cl3N3O/c18-10-7-15(20)16(23-9-10)21-5-6-22-17(24)13-8-12(13)11-3-1-2-4-14(11)19/h1-4,7,9,12-13H,5-6,8H2,(H,21,23)(H,22,24)
InChIKeyVAQVJHIRZHFYGS-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.69
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
CID 52531252
2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide
CID 55588147
(3S)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 94130035
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 55474575
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 51291805
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethylazetidine-2-carboxamide
CID 136560466
2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide
CID 55751317
2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide
CID 55474580
2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 134000864

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide (CID 55723456) is 2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide is O=C(NCCNc1ncc(Cl)cc1Cl)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is VAQVJHIRZHFYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O/c18-10-7-15(20)16(23-9-10)21-5-6-22-17(24)13-8-12(13)11-3-1-2-4-14(11)19/h1-4,7,9,12-13H,5-6,8H2,(H,21,23)(H,22,24).
What are the key properties of 2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 384.69 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55723456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).