(4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide

C19H21F2N5O2 — CID 18835527

IUPAC(4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N\N=C(N)N)CC(C)(C)C2
InChIInChI=1S/C19H21F2N5O2/c1-9-15-13(25-26-18(22)23)7-19(2,3)8-14(15)28-16(9)17(27)24-12-5-4-10(20)6-11(12)21/h4-6H,7-8H2,1-3H3,(H,24,27)(H4,22,23,26)/b25-13-
InChIKeyZPFFWPWRESZTLG-MXAYSNPKSA-N
MW389.41 g/mol
LogP3.07
Rot. Bonds3

About (4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide

(4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18835527) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is (4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
PubChem CID18835527
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name(4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N\N=C(N)N)CC(C)(C)C2
InChIInChI=1S/C19H21F2N5O2/c1-9-15-13(25-26-18(22)23)7-19(2,3)8-14(15)28-16(9)17(27)24-12-5-4-10(20)6-11(12)21/h4-6H,7-8H2,1-3H3,(H,24,27)(H4,22,23,26)/b25-13-
InChIKeyZPFFWPWRESZTLG-MXAYSNPKSA-N
XLogP3.07
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(diaminomethylidenehydrazinylidene)-3,6,6-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835375
(4Z)-4-(carbamothioylhydrazinylidene)-N-(2,4-dichlorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835545
2-[(Z)-[3,6,6-trimethyl-2-[[(2-nitrobenzoyl)amino]carbamoyl]-5,7-dihydro-1-benzofuran-4-ylidene]amino]guanidine
CID 18835487
(4Z)-N,N-bis(cyanomethyl)-4-(diaminomethylidenehydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835439
(4Z)-N-(2-bromophenyl)-4-(carbamoylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835795
(4E)-N-(2,4-difluorophenyl)-4-[(4-hydroxybenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19156372
(4E)-N-(2,4-difluorophenyl)-3-methyl-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19161913
(4Z)-N-(2-bromophenyl)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835134
(4Z)-4-(carbamoylhydrazinylidene)-3,6,6-trimethyl-N-naphthalen-1-yl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835777
N-(2,5-dichlorophenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 5268606
(4Z)-N-(4-bromophenyl)-4-(carbamoylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835805
N-[(E)-[2-[(2,4-difluorophenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-2-carboxamide
CID 19158724

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide (CID 18835527) is (4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N\N=C(N)N)CC(C)(C)C2.
What is the InChIKey of (4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ZPFFWPWRESZTLG-MXAYSNPKSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-9-15-13(25-26-18(22)23)7-19(2,3)8-14(15)28-16(9)17(27)24-12-5-4-10(20)6-11(12)21/h4-6H,7-8H2,1-3H3,(H,24,27)(H4,22,23,26)/b25-13-.
What are the key properties of (4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide?
(4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(diaminomethylidenehydrazinylidene)-N-(2,4-difluorophenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18835527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).