N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide

C18H16Cl2N2O — CID 3709810

IUPACN-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=CC1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C18H16Cl2N2O/c19-18(20)12-17(18,15-9-5-2-6-10-15)13-21-22-16(23)11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,22,23)
InChIKeyDXYYUKZSQAXESZ-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.85
Rot. Bonds5

About N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide

N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide (PubChem CID 3709810) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide
PubChem CID3709810
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC NameN-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=CC1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C18H16Cl2N2O/c19-18(20)12-17(18,15-9-5-2-6-10-15)13-21-22-16(23)11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,22,23)
InChIKeyDXYYUKZSQAXESZ-UHFFFAOYSA-N
XLogP3.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylacetamide
CID 5332602
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-phenylacetamide
CID 5419138
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948440
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136749233
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide (CID 3709810) is N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)NN=CC1(c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide?
The InChIKey is DXYYUKZSQAXESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c19-18(20)12-17(18,15-9-5-2-6-10-15)13-21-22-16(23)11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,22,23).
What are the key properties of N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide?
N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide has a molecular weight of 347.25 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dichloro-1-phenylcyclopropyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 3709810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).