(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide

C18H14F2N2O2 — CID 21177965

IUPAC(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)Nc2ccc(F)cc2)[C@@H]1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O2/c1-10-15(17(23)21-13-6-2-11(19)3-7-13)16(10)18(24)22-14-8-4-12(20)5-9-14/h2-9,15-16H,1H2,(H,21,23)(H,22,24)/t15-,16?/m1/s1
InChIKeyKGZKFWUCNXIMMX-AAFJCEBUSA-N
MW328.32 g/mol
LogP3.34
Rot. Bonds4

About (2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide

(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide (PubChem CID 21177965) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is (2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
PubChem CID21177965
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)Nc2ccc(F)cc2)[C@@H]1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O2/c1-10-15(17(23)21-13-6-2-11(19)3-7-13)16(10)18(24)22-14-8-4-12(20)5-9-14/h2-9,15-16H,1H2,(H,21,23)(H,22,24)/t15-,16?/m1/s1
InChIKeyKGZKFWUCNXIMMX-AAFJCEBUSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide
CID 21177977
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
2,2-difluoro-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 144539030
N-(4-fluorophenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439082
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177970
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
(1S,4Z,8S)-N-(4-fluorophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5415413
trans-(1R,2R)-1-N,2-N-bis(2-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 828858
N-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75220517
(2R,3S)-3-[(4-fluorophenyl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40636498

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide (CID 21177965) is (2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide is C=C1C(C(=O)Nc2ccc(F)cc2)[C@@H]1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The InChIKey is KGZKFWUCNXIMMX-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-10-15(17(23)21-13-6-2-11(19)3-7-13)16(10)18(24)22-14-8-4-12(20)5-9-14/h2-9,15-16H,1H2,(H,21,23)(H,22,24)/t15-,16?/m1/s1.
What are the key properties of (2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 21177965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).