N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

C17H14Br2N2O — CID 6736120

IUPACN-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NN=Cc1ccc(Br)c(Br)c1)C1CC1c1ccccc1
InChIInChI=1S/C17H14Br2N2O/c18-15-7-6-11(8-16(15)19)10-20-21-17(22)14-9-13(14)12-4-2-1-3-5-12/h1-8,10,13-14H,9H2,(H,21,22)
InChIKeyCKTUOTHEQIJTKI-UHFFFAOYSA-N
MW422.12 g/mol
LogP4.47
Rot. Bonds4

About N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide

N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 6736120) has the molecular formula C17H14Br2N2O and a molecular weight of 422.12 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID6736120
Molecular FormulaC17H14Br2N2O
Molecular Weight422.12 g/mol
Exact Mass419.95
IUPAC NameN-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NN=Cc1ccc(Br)c(Br)c1)C1CC1c1ccccc1
InChIInChI=1S/C17H14Br2N2O/c18-15-7-6-11(8-16(15)19)10-20-21-17(22)14-9-13(14)12-4-2-1-3-5-12/h1-8,10,13-14H,9H2,(H,21,22)
InChIKeyCKTUOTHEQIJTKI-UHFFFAOYSA-N
XLogP4.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.12
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6552897
cis-(1R,2S)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975061
cis-(1R,2S)-N-[(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129440063
trans-(1S,2S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5394841
N-[(3-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2832952
trans-(1R,2R)-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 137264733
trans-(1S,2S)-2-phenyl-N-(pyridin-4-ylmethylideneamino)cyclopropane-1-carboxamide
CID 129359921
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135472421
cis-(1S,2R)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129439856
cis-(1R,2S)-N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6944937
N-[(3-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 2828223
N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 3097442

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 6736120) is N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is O=C(NN=Cc1ccc(Br)c(Br)c1)C1CC1c1ccccc1.
What is the InChIKey of N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is CKTUOTHEQIJTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2N2O/c18-15-7-6-11(8-16(15)19)10-20-21-17(22)14-9-13(14)12-4-2-1-3-5-12/h1-8,10,13-14H,9H2,(H,21,22).
What are the key properties of N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide?
N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 422.12 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 6736120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).