(9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide

C16H15N3O2 — CID 11701890

IUPAC(9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide
SMILESC[C@@]1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21
InChIInChI=1S/C16H15N3O2/c1-16(21)12-5-3-2-4-10(12)11-7-6-9(8-13(11)16)14(20)19-15(17)18/h2-8,21H,1H3,(H4,17,18,19,20)/t16-/m1/s1
InChIKeyLQEQARKBTXPYAA-MRXNPFEDSA-N
MW281.32 g/mol
LogP1.34
Rot. Bonds1

About (9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide

(9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide (PubChem CID 11701890) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide.

Molecular Properties

Compound Name(9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide
PubChem CID11701890
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name(9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide
SMILESC[C@@]1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21
InChIInChI=1S/C16H15N3O2/c1-16(21)12-5-3-2-4-10(12)11-7-6-9(8-13(11)16)14(20)19-15(17)18/h2-8,21H,1H3,(H4,17,18,19,20)/t16-/m1/s1
InChIKeyLQEQARKBTXPYAA-MRXNPFEDSA-N
XLogP1.34
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.34
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)-9-methoxy-9-(methoxymethyl)fluorene-2-carboxamide;hydrochloride
CID 118717216
methane;9-methylfluoren-9-ol
CID 160708378
N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide
CID 58553394
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide
CID 58406678
8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 70227845
N-[2-(diaminomethylidenecarbamoyl)-9H-fluoren-9-yl]carbamate
CID 23151725
N-(diaminomethylidene)-8-[2-(hydroxy-dimethyl-oxo-λ6-sulfanyl)phenyl]-5,6-dihydronaphthalene-2-carboxamide
CID 146033407
N-(diaminomethylidene)-2,2-dimethylthiochromene-7-carboxamide
CID 67615993
N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide
CID 58553352
N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
CID 58406429
N-(diaminomethylidene)-4-(2-methoxyphenyl)-2,2-dimethylchromene-6-carboxamide
CID 58406629

Frequently Asked Questions

What is the IUPAC name of (9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide?
The IUPAC name of (9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide (CID 11701890) is (9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide.
What is the SMILES notation for (9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide?
The canonical SMILES for (9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide is C[C@@]1(O)c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.
What is the InChIKey of (9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide?
The InChIKey is LQEQARKBTXPYAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-16(21)12-5-3-2-4-10(12)11-7-6-9(8-13(11)16)14(20)19-15(17)18/h2-8,21H,1H3,(H4,17,18,19,20)/t16-/m1/s1.
What are the key properties of (9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide?
(9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-N-(diaminomethylidene)-9-hydroxy-9-methylfluorene-2-carboxamide is sourced from PubChem (CID 11701890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).