cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide

C15H19BrN2O2 — CID 95595198

IUPACcis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O2/c1-17(2)14(19)9-18(3)15(20)13-8-12(13)10-4-6-11(16)7-5-10/h4-7,12-13H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyVQMZXJVNMJKBPQ-CHWSQXEVSA-N
MW339.23 g/mol
LogP2.10
Rot. Bonds4

About cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide

cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 95595198) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID95595198
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Namecis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O2/c1-17(2)14(19)9-18(3)15(20)13-8-12(13)10-4-6-11(16)7-5-10/h4-7,12-13H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyVQMZXJVNMJKBPQ-CHWSQXEVSA-N
XLogP2.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 52528149
trans-(1R,2R)-2-(4-bromophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 15141054
2-[[2-(4-bromophenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 119209516
N-methyl-N-[2-(N-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)cyclopropane-1-carboxamide
CID 157276717
cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94815781
trans-(1R,2R)-2-(4-bromophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylcyclopropane-1-carboxamide
CID 166263231
trans-(1S,2S)-2-(4-bromophenyl)cyclopropane-1-carboxamide
CID 66795977
cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 95299860
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-2-(3,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 102556774
cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide
CID 94811517
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 51292110

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide (CID 95595198) is cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide is CN(C)C(=O)CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is VQMZXJVNMJKBPQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-17(2)14(19)9-18(3)15(20)13-8-12(13)10-4-6-11(16)7-5-10/h4-7,12-13H,8-9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95595198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).