N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide

C18H12F3N3O2 — CID 58553330

IUPACN-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2cccc(-c3c(F)cc(F)c(O)c3F)c2c1
InChIInChI=1S/C18H12F3N3O2/c19-12-7-13(20)16(25)15(21)14(12)10-3-1-2-8-4-5-9(6-11(8)10)17(26)24-18(22)23/h1-7,25H,(H4,22,23,24,26)
InChIKeyYTTYQIPIVZLQSW-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.04
Rot. Bonds2

About N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide

N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide (PubChem CID 58553330) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide
PubChem CID58553330
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC NameN-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide
SMILESNC(N)=NC(=O)c1ccc2cccc(-c3c(F)cc(F)c(O)c3F)c2c1
InChIInChI=1S/C18H12F3N3O2/c19-12-7-13(20)16(25)15(21)14(12)10-3-1-2-8-4-5-9(6-11(8)10)17(26)24-18(22)23/h1-7,25H,(H4,22,23,24,26)
InChIKeyYTTYQIPIVZLQSW-UHFFFAOYSA-N
XLogP3.04
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.04
H-Bond Donors ≤ 53
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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Related Compounds

N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide
CID 46865262
N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide
CID 58553394
N-(diaminomethylidene)-8-(4-fluorophenyl)naphthalene-2-carboxamide
CID 58553663
8-(4-chloro-2-fluorophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553241
8-(4-chlorophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553229
8-(2-chloro-3-pyridinyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553503
8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 70227845
8-(2-chloro-6-isocyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553731
N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide
CID 58553352
8-(2,6-difluoro-3-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553519
4-(4-chloro-2,6-difluorophenyl)-N-(diaminomethylidene)quinoline-6-carboxamide
CID 67961380
4-(2-chloro-6-fluorophenyl)-N-(diaminomethylidene)quinoline-6-carboxamide
CID 67961379

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide (CID 58553330) is N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide is NC(N)=NC(=O)c1ccc2cccc(-c3c(F)cc(F)c(O)c3F)c2c1.
What is the InChIKey of N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide?
The InChIKey is YTTYQIPIVZLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-12-7-13(20)16(25)15(21)14(12)10-3-1-2-8-4-5-9(6-11(8)10)17(26)24-18(22)23/h1-7,25H,(H4,22,23,24,26).
What are the key properties of N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide?
N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-8-(2,4,6-trifluoro-3-hydroxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 58553330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).