4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide

C18H19N3O2 — CID 10380630

IUPAC4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C18H19N3O2/c19-15-3-1-2-4-16(15)21-18(23)14-9-7-13(8-10-14)17(22)20-11-12-5-6-12/h1-4,7-10,12H,5-6,11,19H2,(H,20,22)(H,21,23)
InChIKeyQUBKLEZVEHMAMR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds5

About 4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide

4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide (PubChem CID 10380630) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
PubChem CID10380630
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C18H19N3O2/c19-15-3-1-2-4-16(15)21-18(23)14-9-7-13(8-10-14)17(22)20-11-12-5-6-12/h1-4,7-10,12H,5-6,11,19H2,(H,20,22)(H,21,23)
InChIKeyQUBKLEZVEHMAMR-UHFFFAOYSA-N
XLogP2.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
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

4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-[3-(2-aminoanilino)-3-oxopropyl]-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
CID 171354343
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
N-(2-aminophenyl)-4-[[8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;dihydrochloride
CID 138673093
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]benzamide
CID 58874409

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide (CID 10380630) is 4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide is Nc1ccccc1NC(=O)c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of 4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is QUBKLEZVEHMAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-15-3-1-2-4-16(15)21-18(23)14-9-7-13(8-10-14)17(22)20-11-12-5-6-12/h1-4,7-10,12H,5-6,11,19H2,(H,20,22)(H,21,23).
What are the key properties of 4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide?
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 10380630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).