6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide

C17H19ClN2O2 — CID 17373418

IUPAC6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC1CCCCCC1
InChIInChI=1S/C17H19ClN2O2/c18-12-7-8-15-11(9-12)10-14(16(19)22-15)17(21)20-13-5-3-1-2-4-6-13/h7-10,13,19H,1-6H2,(H,20,21)/b19-16-
InChIKeyBBOAMJJIXAVZBR-MNDPQUGUSA-N
MW318.80 g/mol
LogP4.02
Rot. Bonds2

About 6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide

6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide (PubChem CID 17373418) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide
PubChem CID17373418
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC1CCCCCC1
InChIInChI=1S/C17H19ClN2O2/c18-12-7-8-15-11(9-12)10-14(16(19)22-15)17(21)20-13-5-3-1-2-4-6-13/h7-10,13,19H,1-6H2,(H,20,21)/b19-16-
InChIKeyBBOAMJJIXAVZBR-MNDPQUGUSA-N
XLogP4.02
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide (CID 17373418) is 6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC1CCCCCC1.
What is the InChIKey of 6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide?
The InChIKey is BBOAMJJIXAVZBR-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-12-7-8-15-11(9-12)10-14(16(19)22-15)17(21)20-13-5-3-1-2-4-6-13/h7-10,13,19H,1-6H2,(H,20,21)/b19-16-.
What are the key properties of 6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide?
6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cycloheptyl-2-iminochromene-3-carboxamide is sourced from PubChem (CID 17373418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).