N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide

C14H18BrNO2 — CID 91653095

IUPACN-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(CCO)Cc1cccc(Br)c1
InChIInChI=1S/C14H18BrNO2/c1-10-7-13(10)14(18)16(5-6-17)9-11-3-2-4-12(15)8-11/h2-4,8,10,13,17H,5-7,9H2,1H3
InChIKeyNQIPJFVMBNEMBS-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.43
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide

N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 91653095) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide
PubChem CID91653095
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(CCO)Cc1cccc(Br)c1
InChIInChI=1S/C14H18BrNO2/c1-10-7-13(10)14(18)16(5-6-17)9-11-3-2-4-12(15)8-11/h2-4,8,10,13,17H,5-7,9H2,1H3
InChIKeyNQIPJFVMBNEMBS-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 91653094
trans-(1R,2R)-N-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 95767164
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea
CID 108901690
3-[(3,4-difluorophenyl)methyl-[(1S,2S)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692965
3-[(3,4-difluorophenyl)methyl-[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692120
2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
CID 71932836
2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902380
2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid
CID 63072969
(3-bromophenyl)methyl-(oxiran-2-ylmethyl)carbamic acid
CID 87093261
9-amino-N-[(3-bromophenyl)methyl]-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985408
(3-bromophenyl)methyl-tert-butylcarbamic acid
CID 66590853

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide (CID 91653095) is N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)N(CCO)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is NQIPJFVMBNEMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-7-13(10)14(18)16(5-6-17)9-11-3-2-4-12(15)8-11/h2-4,8,10,13,17H,5-7,9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide?
N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 91653095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).