2-imino-N-(4-methylphenyl)chromene-3-carboxamide

C17H14N2O2 — CID 703676

IUPAC2-imino-N-(4-methylphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H14N2O2/c1-11-6-8-13(9-7-11)19-17(20)14-10-12-4-2-3-5-15(12)21-16(14)18/h2-10,18H,1H3,(H,19,20)/b18-16-
InChIKeyNJRVLHZCELMEAH-VLGSPTGOSA-N
MW278.31 g/mol
LogP3.47
Rot. Bonds2

About 2-imino-N-(4-methylphenyl)chromene-3-carboxamide

2-imino-N-(4-methylphenyl)chromene-3-carboxamide (PubChem CID 703676) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-imino-N-(4-methylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-imino-N-(4-methylphenyl)chromene-3-carboxamide
PubChem CID703676
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-imino-N-(4-methylphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H14N2O2/c1-11-6-8-13(9-7-11)19-17(20)14-10-12-4-2-3-5-15(12)21-16(14)18/h2-10,18H,1H3,(H,19,20)/b18-16-
InChIKeyNJRVLHZCELMEAH-VLGSPTGOSA-N
XLogP3.47
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imino-N-(4-methylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-imino-N-(4-methylphenyl)chromene-3-carboxamide (CID 703676) is 2-imino-N-(4-methylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-imino-N-(4-methylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-imino-N-(4-methylphenyl)chromene-3-carboxamide is [H]/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-imino-N-(4-methylphenyl)chromene-3-carboxamide?
The InChIKey is NJRVLHZCELMEAH-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-6-8-13(9-7-11)19-17(20)14-10-12-4-2-3-5-15(12)21-16(14)18/h2-10,18H,1H3,(H,19,20)/b18-16-.
What are the key properties of 2-imino-N-(4-methylphenyl)chromene-3-carboxamide?
2-imino-N-(4-methylphenyl)chromene-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-(4-methylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 703676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).