(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide

C17H16BrClN2O2 — CID 1014694

IUPAC(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
SMILESCc1cc(O[C@H](C)C(=O)NN=Cc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C17H16BrClN2O2/c1-11-9-15(7-8-16(11)19)23-12(2)17(22)21-20-10-13-3-5-14(18)6-4-13/h3-10,12H,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyDIFXENLKPRJNCI-GFCCVEGCSA-N
MW395.68 g/mol
LogP4.33
Rot. Bonds5

About (2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide

(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide (PubChem CID 1014694) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is (2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
PubChem CID1014694
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
SMILESCc1cc(O[C@H](C)C(=O)NN=Cc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C17H16BrClN2O2/c1-11-9-15(7-8-16(11)19)23-12(2)17(22)21-20-10-13-3-5-14(18)6-4-13/h3-10,12H,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyDIFXENLKPRJNCI-GFCCVEGCSA-N
XLogP4.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.33
H-Bond Donors ≤ 51
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

N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide
CID 17169215
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 6167380
(2R)-2-(4-bromophenoxy)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136766953
2-(4-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135659445
2-(4-chloro-3-methylphenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 4258751
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 2853248
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
CID 28839263
2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide
CID 4671273
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135615985

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide (CID 1014694) is (2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide is Cc1cc(O[C@H](C)C(=O)NN=Cc2ccc(Br)cc2)ccc1Cl.
What is the InChIKey of (2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide?
The InChIKey is DIFXENLKPRJNCI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-11-9-15(7-8-16(11)19)23-12(2)17(22)21-20-10-13-3-5-14(18)6-4-13/h3-10,12H,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide?
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide has a molecular weight of 395.68 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide is sourced from PubChem (CID 1014694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).