4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide

C18H20N2O — CID 43633223

IUPAC4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide
SMILESCc1ccccc1C1CC(Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C18H20N2O/c1-12-4-2-3-5-17(12)14-10-16(11-14)20-15-8-6-13(7-9-15)18(19)21/h2-9,14,16,20H,10-11H2,1H3,(H2,19,21)
InChIKeyKFXVSHFRHSFFGX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.45
Rot. Bonds4

About 4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide

4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide (PubChem CID 43633223) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide.

Molecular Properties

Compound Name4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide
PubChem CID43633223
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide
SMILESCc1ccccc1C1CC(Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C18H20N2O/c1-12-4-2-3-5-17(12)14-10-16(11-14)20-15-8-6-13(7-9-15)18(19)21/h2-9,14,16,20H,10-11H2,1H3,(H2,19,21)
InChIKeyKFXVSHFRHSFFGX-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine
CID 43635825
4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide
CID 75533709
4-(cyclopropylamino)benzamide
CID 103605968
4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
CID 43633216
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
4-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]benzamide
CID 43522924
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid
CID 175794662
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
CID 43178184
1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine
CID 43635519
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
methyl (2S)-3-methyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]butanoate
CID 61142568

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide?
The IUPAC name of 4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide (CID 43633223) is 4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide.
What is the SMILES notation for 4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide?
The canonical SMILES for 4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide is Cc1ccccc1C1CC(Nc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide?
The InChIKey is KFXVSHFRHSFFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-4-2-3-5-17(12)14-10-16(11-14)20-15-8-6-13(7-9-15)18(19)21/h2-9,14,16,20H,10-11H2,1H3,(H2,19,21).
What are the key properties of 4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide?
4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylphenyl)cyclobutyl]amino]benzamide is sourced from PubChem (CID 43633223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).