(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide

C16H15ClFN3O — CID 40516210

IUPAC(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
SMILESC[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C16H15ClFN3O/c1-11(20-14-8-6-13(17)7-9-14)16(22)21-19-10-12-4-2-3-5-15(12)18/h2-11,20H,1H3,(H,21,22)/b19-10-/t11-/m1/s1
InChIKeyJQRHDKHIHLZRLX-XEQXHXIFSA-N
MW319.77 g/mol
LogP3.43
Rot. Bonds5

About (2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide

(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide (PubChem CID 40516210) has the molecular formula C16H15ClFN3O and a molecular weight of 319.77 g/mol. Its IUPAC name is (2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
PubChem CID40516210
Molecular FormulaC16H15ClFN3O
Molecular Weight319.77 g/mol
Exact Mass319.09
IUPAC Name(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
SMILESC[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1F
InChIInChI=1S/C16H15ClFN3O/c1-11(20-14-8-6-13(17)7-9-14)16(22)21-19-10-12-4-2-3-5-15(12)18/h2-11,20H,1H3,(H,21,22)/b19-10-/t11-/m1/s1
InChIKeyJQRHDKHIHLZRLX-XEQXHXIFSA-N
XLogP3.43
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
(2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390583
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide
CID 3634771
(2S)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide
CID 136884144
N-[(2-chlorophenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5001692
(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 136705939
2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135782013
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 5081987
2-(4-chloroanilino)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2863483
(2S)-2-(4-chloroanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 5403140
(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136851943

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide (CID 40516210) is (2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide is C[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1F.
What is the InChIKey of (2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide?
The InChIKey is JQRHDKHIHLZRLX-XEQXHXIFSA-N. The full InChI is InChI=1S/C16H15ClFN3O/c1-11(20-14-8-6-13(17)7-9-14)16(22)21-19-10-12-4-2-3-5-15(12)18/h2-11,20H,1H3,(H,21,22)/b19-10-/t11-/m1/s1.
What are the key properties of (2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide?
(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide has a molecular weight of 319.77 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 40516210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).