N-benzyl-2-iminochromene-3-carboxamide

C17H14N2O2 — CID 3900809

IUPACN-benzyl-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H14N2O2/c18-16-14(10-13-8-4-5-9-15(13)21-16)17(20)19-11-12-6-2-1-3-7-12/h1-10,18H,11H2,(H,19,20)/b18-16-
InChIKeyKXRXABQWJNEEGK-VLGSPTGOSA-N
MW278.31 g/mol
LogP2.84
Rot. Bonds3

About N-benzyl-2-iminochromene-3-carboxamide

N-benzyl-2-iminochromene-3-carboxamide (PubChem CID 3900809) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-benzyl-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-iminochromene-3-carboxamide
PubChem CID3900809
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-benzyl-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H14N2O2/c18-16-14(10-13-8-4-5-9-15(13)21-16)17(20)19-11-12-6-2-1-3-7-12/h1-10,18H,11H2,(H,19,20)/b18-16-
InChIKeyKXRXABQWJNEEGK-VLGSPTGOSA-N
XLogP2.84
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-iminochromene-3-carboxamide?
The IUPAC name of N-benzyl-2-iminochromene-3-carboxamide (CID 3900809) is N-benzyl-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-benzyl-2-iminochromene-3-carboxamide?
The canonical SMILES for N-benzyl-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccccc2cc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-iminochromene-3-carboxamide?
The InChIKey is KXRXABQWJNEEGK-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-16-14(10-13-8-4-5-9-15(13)21-16)17(20)19-11-12-6-2-1-3-7-12/h1-10,18H,11H2,(H,19,20)/b18-16-.
What are the key properties of N-benzyl-2-iminochromene-3-carboxamide?
N-benzyl-2-iminochromene-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-iminochromene-3-carboxamide is sourced from PubChem (CID 3900809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).