7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide

C14H16ClN3O2 — CID 146032619

IUPAC7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide
SMILESCC1=CC(C)(C)Oc2cc(Cl)c(C(=O)N=C(N)N)cc21
InChIInChI=1S/C14H16ClN3O2/c1-7-6-14(2,3)20-11-5-10(15)9(4-8(7)11)12(19)18-13(16)17/h4-6H,1-3H3,(H4,16,17,18,19)
InChIKeyNWGXINMIKBJHKI-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.33
Rot. Bonds1

About 7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide

7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide (PubChem CID 146032619) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide
PubChem CID146032619
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide
SMILESCC1=CC(C)(C)Oc2cc(Cl)c(C(=O)N=C(N)N)cc21
InChIInChI=1S/C14H16ClN3O2/c1-7-6-14(2,3)20-11-5-10(15)9(4-8(7)11)12(19)18-13(16)17/h4-6H,1-3H3,(H4,16,17,18,19)
InChIKeyNWGXINMIKBJHKI-UHFFFAOYSA-N
XLogP2.33
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide?
The IUPAC name of 7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide (CID 146032619) is 7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide.
What is the SMILES notation for 7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide?
The canonical SMILES for 7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide is CC1=CC(C)(C)Oc2cc(Cl)c(C(=O)N=C(N)N)cc21.
What is the InChIKey of 7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide?
The InChIKey is NWGXINMIKBJHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-7-6-14(2,3)20-11-5-10(15)9(4-8(7)11)12(19)18-13(16)17/h4-6H,1-3H3,(H4,16,17,18,19).
What are the key properties of 7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide?
7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(diaminomethylidene)-2,2,4-trimethylchromene-6-carboxamide is sourced from PubChem (CID 146032619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).