cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide

C11H12BrNO — CID 129348369

IUPACcis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-13-11(14)10-6-9(10)7-2-4-8(12)5-3-7/h2-5,9-10H,6H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyQHMHXZZAINQJRG-NXEZZACHSA-N
MW254.13 g/mol
LogP2.30
Rot. Bonds2

About cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide

cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 129348369) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID129348369
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Namecis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-13-11(14)10-6-9(10)7-2-4-8(12)5-3-7/h2-5,9-10H,6H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyQHMHXZZAINQJRG-NXEZZACHSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide
CID 94811517
trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide
CID 66795977
methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95271586
2-(4-bromophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclopropane-1-carboxamide
CID 75512145
2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 47089784
trans-(1R,2R)-2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 94798725
methyl (3S)-3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]butanoate
CID 124819236
methyl (3S)-3-[[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]butanoate
CID 124819235
cis-(1S,2R)-2-(4-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94814319
trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94811638
trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 94812943
2-(4-bromophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)cyclopropane-1-carboxamide
CID 110002073

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide (CID 129348369) is cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide is CNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is QHMHXZZAINQJRG-NXEZZACHSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-13-11(14)10-6-9(10)7-2-4-8(12)5-3-7/h2-5,9-10H,6H2,1H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 254.13 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 129348369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).