N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide

C18H20N2O — CID 71206970

IUPACN-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide
SMILESCNCC1CC1c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-19-12-14-11-16(14)15-9-5-6-10-17(15)20-18(21)13-7-3-2-4-8-13/h2-10,14,16,19H,11-12H2,1H3,(H,20,21)
InChIKeyHGDWLAXSYRGJCG-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.26
Rot. Bonds5

About N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide

N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide (PubChem CID 71206970) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide
PubChem CID71206970
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide
SMILESCNCC1CC1c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-19-12-14-11-16(14)15-9-5-6-10-17(15)20-18(21)13-7-3-2-4-8-13/h2-10,14,16,19H,11-12H2,1H3,(H,20,21)
InChIKeyHGDWLAXSYRGJCG-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
CID 94558305
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
N-[2-[(2R,5S)-5-(hydroxymethyl)-4-oxooxolan-2-yl]phenyl]benzamide
CID 10781321
N-[2-[(3S)-4-imino-5-oxooxolan-3-yl]phenyl]benzamide
CID 6552956
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
N-[2-(cyclopropylmethyl)phenyl]benzamide
CID 91703615
diethyl (1R,8R,9R,10S)-3-benzamidotricyclo[6.2.2.02,7]dodeca-2(7),3,5,11-tetraene-9,10-dicarboxylate
CID 99950917
diethyl (1S,8S,9R,10S)-3-benzamidotricyclo[6.2.2.02,7]dodeca-2(7),3,5,11-tetraene-9,10-dicarboxylate
CID 98140982
benzohydrazide;propane
CID 90709051
1-[(1S,8S,9R,11S)-11-(4-methoxyphenyl)-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]-N-methylmethanamine
CID 177417495
N-(2-propan-2-ylphenyl)benzamide
CID 723391

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide (CID 71206970) is N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide is CNCC1CC1c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide?
The InChIKey is HGDWLAXSYRGJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-12-14-11-16(14)15-9-5-6-10-17(15)20-18(21)13-7-3-2-4-8-13/h2-10,14,16,19H,11-12H2,1H3,(H,20,21).
What are the key properties of N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide?
N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 71206970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).