N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide

C22H16ClFN4O — CID 145056285

IUPACN-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide
SMILESCc1ccc([C@@]2(c3ccc(Cl)cn3)CC2NC(=O)c2ccc(C#N)c(F)c2)nc1
InChIInChI=1S/C22H16ClFN4O/c1-13-2-6-18(26-11-13)22(19-7-5-16(23)12-27-19)9-20(22)28-21(29)14-3-4-15(10-25)17(24)8-14/h2-8,11-12,20H,9H2,1H3,(H,28,29)/t20?,22-/m1/s1
InChIKeyUCRXBZBTDMICGK-LWMIZPGFSA-N
MW406.85 g/mol
LogP3.94
Rot. Bonds4

About N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide

N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide (PubChem CID 145056285) has the molecular formula C22H16ClFN4O and a molecular weight of 406.85 g/mol. Its IUPAC name is N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide
PubChem CID145056285
Molecular FormulaC22H16ClFN4O
Molecular Weight406.85 g/mol
Exact Mass406.10
IUPAC NameN-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide
SMILESCc1ccc([C@@]2(c3ccc(Cl)cn3)CC2NC(=O)c2ccc(C#N)c(F)c2)nc1
InChIInChI=1S/C22H16ClFN4O/c1-13-2-6-18(26-11-13)22(19-7-5-16(23)12-27-19)9-20(22)28-21(29)14-3-4-15(10-25)17(24)8-14/h2-8,11-12,20H,9H2,1H3,(H,28,29)/t20?,22-/m1/s1
InChIKeyUCRXBZBTDMICGK-LWMIZPGFSA-N
XLogP3.94
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide with MolForge

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Related Compounds

N-[(S)-(5-chloro-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288151
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288340
N-[(4-chlorophenyl)-(6-chloro-3-pyridinyl)methyl]-4-cyano-3-fluorobenzamide
CID 121264422
4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide
CID 71198890
N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288163
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 143484074
4-cyano-3-fluoro-N-propylbenzamide
CID 91191816
3-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyanobenzamide
CID 130288359
N-[(4-chloro-2-fluorophenyl)-(4-chlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 121264206
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide?
The IUPAC name of N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide (CID 145056285) is N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide.
What is the SMILES notation for N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide?
The canonical SMILES for N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide is Cc1ccc([C@@]2(c3ccc(Cl)cn3)CC2NC(=O)c2ccc(C#N)c(F)c2)nc1.
What is the InChIKey of N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide?
The InChIKey is UCRXBZBTDMICGK-LWMIZPGFSA-N. The full InChI is InChI=1S/C22H16ClFN4O/c1-13-2-6-18(26-11-13)22(19-7-5-16(23)12-27-19)9-20(22)28-21(29)14-3-4-15(10-25)17(24)8-14/h2-8,11-12,20H,9H2,1H3,(H,28,29)/t20?,22-/m1/s1.
What are the key properties of N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide?
N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide has a molecular weight of 406.85 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-chloro-2-pyridinyl)-2-(5-methyl-2-pyridinyl)cyclopropyl]-4-cyano-3-fluorobenzamide is sourced from PubChem (CID 145056285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).