1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide

C14H19BrN2O — CID 113311577

IUPAC1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CCC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-10(11-4-2-5-12(15)8-11)17-13(18)14(9-16)6-3-7-14/h2,4-5,8,10H,3,6-7,9,16H2,1H3,(H,17,18)
InChIKeyZJBNCDZBHROHCW-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.76
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 113311577) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID113311577
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(CN)CCC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-10(11-4-2-5-12(15)8-11)17-13(18)14(9-16)6-3-7-14/h2,4-5,8,10H,3,6-7,9,16H2,1H3,(H,17,18)
InChIKeyZJBNCDZBHROHCW-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cycloheptane-1-carboxamide
CID 115444286
1-(aminomethyl)-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115453559
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
N-[1-(3-acetamidophenyl)ethyl]-1-(aminomethyl)cyclobutane-1-carboxamide
CID 115448197
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 119686311
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 112726205
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 115452527
1-(aminomethyl)-N-[1-(4-fluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 80588663
N-[1-(3-bromophenyl)ethyl]-1-carbamothioylcyclopropane-1-carboxamide
CID 80589225

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide (CID 113311577) is 1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide is CC(NC(=O)C1(CN)CCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is ZJBNCDZBHROHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10(11-4-2-5-12(15)8-11)17-13(18)14(9-16)6-3-7-14/h2,4-5,8,10H,3,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 113311577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).