N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide

C14H18BrNO2 — CID 115184176

IUPACN-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
SMILESO=C(NCCc1ccccc1Br)C1(CO)CCC1
InChIInChI=1S/C14H18BrNO2/c15-12-5-2-1-4-11(12)6-9-16-13(18)14(10-17)7-3-8-14/h1-2,4-5,17H,3,6-10H2,(H,16,18)
InChIKeyBFGRNNJWERJWNS-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide

N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide (PubChem CID 115184176) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
PubChem CID115184176
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
SMILESO=C(NCCc1ccccc1Br)C1(CO)CCC1
InChIInChI=1S/C14H18BrNO2/c15-12-5-2-1-4-11(12)6-9-16-13(18)14(10-17)7-3-8-14/h1-2,4-5,17H,3,6-10H2,(H,16,18)
InChIKeyBFGRNNJWERJWNS-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182408
1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide
CID 113311677
1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707366
N-[2-(1-benzofuran-3-yl)ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182419
N-[(3-bromophenyl)methyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184081
1-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115184171
1-(hydroxymethyl)-N-[2-(2,4,5-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182400
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184067
cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95287116
1-[[(2-bromophenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242975
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide (CID 115184176) is N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide is O=C(NCCc1ccccc1Br)C1(CO)CCC1.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide?
The InChIKey is BFGRNNJWERJWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-12-5-2-1-4-11(12)6-9-16-13(18)14(10-17)7-3-8-14/h1-2,4-5,17H,3,6-10H2,(H,16,18).
What are the key properties of N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide?
N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115184176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).