trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide

C18H14Br2N2O2 — CID 1120968

IUPACtrans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1[C@H](C(=O)Nc2cccc(Br)c2)[C@H]1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H14Br2N2O2/c1-10-15(17(23)21-13-6-2-4-11(19)8-13)16(10)18(24)22-14-7-3-5-12(20)9-14/h2-9,15-16H,1H2,(H,21,23)(H,22,24)/t15-,16-/m0/s1
InChIKeyOUJAPLYUMRYGKX-HOTGVXAUSA-N
MW450.13 g/mol
LogP4.59
Rot. Bonds4

About trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide

trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide (PubChem CID 1120968) has the molecular formula C18H14Br2N2O2 and a molecular weight of 450.13 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
PubChem CID1120968
Molecular FormulaC18H14Br2N2O2
Molecular Weight450.13 g/mol
Exact Mass447.94
IUPAC Nametrans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1[C@H](C(=O)Nc2cccc(Br)c2)[C@H]1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H14Br2N2O2/c1-10-15(17(23)21-13-6-2-4-11(19)8-13)16(10)18(24)22-14-7-3-5-12(20)9-14/h2-9,15-16H,1H2,(H,21,23)(H,22,24)/t15-,16-/m0/s1
InChIKeyOUJAPLYUMRYGKX-HOTGVXAUSA-N
XLogP4.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.13
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 139526446
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CID 103837156
N-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinane-5-carboxamide
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N-(3-bromophenyl)-2,3-diphenylcycloprop-2-ene-1-carboxamide
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CID 11836641
(2S)-N-(3-bromophenyl)-1,4-dimethylpyrrolidine-2-carboxamide
CID 175623631
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 50823424
3-[(3-bromophenyl)carbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid
CID 2832308
N-(3-bromophenyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 168753842
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide (CID 1120968) is trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide is C=C1[C@H](C(=O)Nc2cccc(Br)c2)[C@H]1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The InChIKey is OUJAPLYUMRYGKX-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H14Br2N2O2/c1-10-15(17(23)21-13-6-2-4-11(19)8-13)16(10)18(24)22-14-7-3-5-12(20)9-14/h2-9,15-16H,1H2,(H,21,23)(H,22,24)/t15-,16-/m0/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide has a molecular weight of 450.13 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 1120968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).