N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide

C16H15BrN2O — CID 142612280

IUPACN-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C16H15BrN2O/c1-19(13-7-12(17)9-18-10-13)16(20)15-8-14(15)11-5-3-2-4-6-11/h2-7,9-10,14-15H,8H2,1H3
InChIKeyXEQIDXJGCXNZNM-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.61
Rot. Bonds3

About N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide

N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 142612280) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
PubChem CID142612280
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C16H15BrN2O/c1-19(13-7-12(17)9-18-10-13)16(20)15-8-14(15)11-5-3-2-4-6-11/h2-7,9-10,14-15H,8H2,1H3
InChIKeyXEQIDXJGCXNZNM-UHFFFAOYSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
(3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 124862372
(3R)-N-methyl-N-phenyl-1-[(1S,2S)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 100650532
N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
CID 79543844
trans-(1S,2S)-N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 98329771
cis-(1R,2S)-N,N-bis[(2S)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 40584792
2-[[2-(4-bromophenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 119209516
trans-(1R,2R)-2-(4-bromophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 15141054
4-[[2-(3-bromophenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 119172658
(2R)-2-[methyl-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]propanoic acid
CID 99701873
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 142111486

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide (CID 142612280) is N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide is CN(C(=O)C1CC1c1ccccc1)c1cncc(Br)c1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is XEQIDXJGCXNZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-19(13-7-12(17)9-18-10-13)16(20)15-8-14(15)11-5-3-2-4-6-11/h2-7,9-10,14-15H,8H2,1H3.
What are the key properties of N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide?
N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-N-methyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 142612280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).