trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide

C10H10BrNO — CID 66795977

IUPACtrans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H2,12,13)/t8-,9+/m1/s1
InChIKeyYNEJIZAVWXWMTA-BDAKNGLRSA-N
MW240.10 g/mol
LogP2.04
Rot. Bonds2

About trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide (PubChem CID 66795977) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide
PubChem CID66795977
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Nametrans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H2,12,13)/t8-,9+/m1/s1
InChIKeyYNEJIZAVWXWMTA-BDAKNGLRSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide (CID 66795977) is trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide is NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide?
The InChIKey is YNEJIZAVWXWMTA-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H2,12,13)/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide has a molecular weight of 240.10 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 66795977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).