3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide

C18H19BrN2O — CID 119744824

IUPAC3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
SMILESNc1cccc(C(=O)NCC2(c3cccc(Br)c3)CCC2)c1
InChIInChI=1S/C18H19BrN2O/c19-15-6-2-5-14(11-15)18(8-3-9-18)12-21-17(22)13-4-1-7-16(20)10-13/h1-2,4-7,10-11H,3,8-9,12,20H2,(H,21,22)
InChIKeySDPUKZSUKLNRNE-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.88
Rot. Bonds4

About 3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide

3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide (PubChem CID 119744824) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
PubChem CID119744824
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
SMILESNc1cccc(C(=O)NCC2(c3cccc(Br)c3)CCC2)c1
InChIInChI=1S/C18H19BrN2O/c19-15-6-2-5-14(11-15)18(8-3-9-18)12-21-17(22)13-4-1-7-16(20)10-13/h1-2,4-7,10-11H,3,8-9,12,20H2,(H,21,22)
InChIKeySDPUKZSUKLNRNE-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184
2-(4-aminophenyl)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119744805
3-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]benzamide
CID 119697137
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
CID 119325125
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride
CID 119772767
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 60551800
5-[[1-(3-bromophenyl)cyclobutyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685220
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-1-ethylbenzotriazole-5-carboxamide
CID 60552016
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methylsulfonylbenzamide
CID 55980447

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide?
The IUPAC name of 3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide (CID 119744824) is 3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide.
What is the SMILES notation for 3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide?
The canonical SMILES for 3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide is Nc1cccc(C(=O)NCC2(c3cccc(Br)c3)CCC2)c1.
What is the InChIKey of 3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide?
The InChIKey is SDPUKZSUKLNRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-15-6-2-5-14(11-15)18(8-3-9-18)12-21-17(22)13-4-1-7-16(20)10-13/h1-2,4-7,10-11H,3,8-9,12,20H2,(H,21,22).
What are the key properties of 3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide?
3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide has a molecular weight of 359.27 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide is sourced from PubChem (CID 119744824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).