N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide

C18H15F2N3O3 — CID 25190262

IUPACN-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide
SMILESCOc1cc(F)c(C2=CCOc3ccc(C(=O)N=C(N)N)cc32)c(F)c1
InChIInChI=1S/C18H15F2N3O3/c1-25-10-7-13(19)16(14(20)8-10)11-4-5-26-15-3-2-9(6-12(11)15)17(24)23-18(21)22/h2-4,6-8H,5H2,1H3,(H4,21,22,23,24)
InChIKeyNHDPGRHWQZDIKI-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.21
Rot. Bonds3

About N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide

N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide (PubChem CID 25190262) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide
PubChem CID25190262
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC NameN-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide
SMILESCOc1cc(F)c(C2=CCOc3ccc(C(=O)N=C(N)N)cc32)c(F)c1
InChIInChI=1S/C18H15F2N3O3/c1-25-10-7-13(19)16(14(20)8-10)11-4-5-26-15-3-2-9(6-12(11)15)17(24)23-18(21)22/h2-4,6-8H,5H2,1H3,(H4,21,22,23,24)
InChIKeyNHDPGRHWQZDIKI-UHFFFAOYSA-N
XLogP2.21
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(diaminomethylidene)-4-(2-methoxyphenyl)-2H-chromene-6-carboxamide
CID 58407485
N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide
CID 58407018
4-[2,4-bis(trifluoromethyl)phenyl]-N-(diaminomethylidene)-2H-chromene-6-carboxamide
CID 88911383
N-(diaminomethylidene)-4-(2-fluoro-5-methoxyphenyl)-2-methyl-2H-chromene-6-carboxamide
CID 58407247
N-(diaminomethylidene)-3-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxamide
CID 58406759
methyl 4-(3,5-difluorophenyl)-2H-chromene-6-carboxylate
CID 58406748
N-(diaminomethylidene)-4-(2-methoxyphenyl)-2,2-dimethylchromene-6-carboxamide
CID 58406629
N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide
CID 143762508
8-(2-chloro-6-fluorophenyl)-N-(diaminomethylidene)-5,6-dihydronaphthalene-2-carboxamide
CID 58406576
N-(diaminomethylidene)-8-(2,4-difluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
CID 58407486
3-acetyl-N-(diaminomethylidene)-4-fluorobenzamide
CID 22078535
8-(4-chloro-2-fluorophenyl)-N-(diaminomethylidene)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
CID 58407081

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide (CID 25190262) is N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide is COc1cc(F)c(C2=CCOc3ccc(C(=O)N=C(N)N)cc32)c(F)c1.
What is the InChIKey of N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide?
The InChIKey is NHDPGRHWQZDIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-25-10-7-13(19)16(14(20)8-10)11-4-5-26-15-3-2-9(6-12(11)15)17(24)23-18(21)22/h2-4,6-8H,5H2,1H3,(H4,21,22,23,24).
What are the key properties of N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide?
N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide is sourced from PubChem (CID 25190262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).