N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C15H20BrNO2 — CID 115182484

IUPACN-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(CO)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c1-14(2,11-3-5-12(16)6-4-11)9-17-13(19)15(10-18)7-8-15/h3-6,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyREVXLVOSHBHYHC-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 115182484) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID115182484
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(CO)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c1-14(2,11-3-5-12(16)6-4-11)9-17-13(19)15(10-18)7-8-15/h3-6,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyREVXLVOSHBHYHC-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182483
3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide
CID 115185485
N-[2-(3-bromophenyl)-2-methylpropyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183179
1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115182837
1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide
CID 115182494
2-amino-N-[2-(4-bromophenyl)-2-methylpropyl]-2-phenylacetamide
CID 119295146
N-[2-(4-bromophenyl)-2-methylpropyl]-3-sulfanylpropanamide
CID 115168128
4-bromo-N-[2-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 113090383
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066
N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 115159331
(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 51948734
N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119733957

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 115182484) is N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is CC(C)(CNC(=O)C1(CO)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is REVXLVOSHBHYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-14(2,11-3-5-12(16)6-4-11)9-17-13(19)15(10-18)7-8-15/h3-6,18H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 326.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).