3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide

C17H19N3O — CID 66386042

IUPAC3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
SMILESNc1ccccc1CNc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C17H19N3O/c18-16-7-2-1-4-13(16)11-19-15-6-3-5-12(10-15)17(21)20-14-8-9-14/h1-7,10,14,19H,8-9,11,18H2,(H,20,21)
InChIKeyDYUZSKYHLNSFMW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.77
Rot. Bonds5

About 3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide

3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide (PubChem CID 66386042) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
PubChem CID66386042
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
SMILESNc1ccccc1CNc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C17H19N3O/c18-16-7-2-1-4-13(16)11-19-15-6-3-5-12(10-15)17(21)20-14-8-9-14/h1-7,10,14,19H,8-9,11,18H2,(H,20,21)
InChIKeyDYUZSKYHLNSFMW-UHFFFAOYSA-N
XLogP2.77
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
CID 54795525
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N-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide
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N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973
N-cyclopropyl-3-[(4-methoxy-2-methylphenyl)methylamino]benzamide
CID 167899942
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399986
4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 162638258
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
N-cyclopropyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109223581
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide (CID 66386042) is 3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide is Nc1ccccc1CNc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide?
The InChIKey is DYUZSKYHLNSFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-16-7-2-1-4-13(16)11-19-15-6-3-5-12(10-15)17(21)20-14-8-9-14/h1-7,10,14,19H,8-9,11,18H2,(H,20,21).
What are the key properties of 3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide?
3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 66386042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).