N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide

C24H23BrClN3O2 — CID 5226918

IUPACN-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide
SMILESCc1cc(Cl)ccc1NC(C)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C24H23BrClN3O2/c1-16-12-21(26)10-11-22(16)28-17(2)24(30)29-27-14-19-7-3-4-9-23(19)31-15-18-6-5-8-20(25)13-18/h3-14,17,28H,15H2,1-2H3,(H,29,30)
InChIKeyWPJMQNDWTGLUGZ-UHFFFAOYSA-N
MW500.82 g/mol
LogP5.94
Rot. Bonds8

About N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide

N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide (PubChem CID 5226918) has the molecular formula C24H23BrClN3O2 and a molecular weight of 500.82 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide
PubChem CID5226918
Molecular FormulaC24H23BrClN3O2
Molecular Weight500.82 g/mol
Exact Mass499.07
IUPAC NameN-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide
SMILESCc1cc(Cl)ccc1NC(C)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C24H23BrClN3O2/c1-16-12-21(26)10-11-22(16)28-17(2)24(30)29-27-14-19-7-3-4-9-23(19)31-15-18-6-5-8-20(25)13-18/h3-14,17,28H,15H2,1-2H3,(H,29,30)
InChIKeyWPJMQNDWTGLUGZ-UHFFFAOYSA-N
XLogP5.94
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.82
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2S)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide
CID 6874274
(2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide
CID 51661266
(2R)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 124834516
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 12005344
(2S)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3-methylanilino)propanamide
CID 124834052
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337
2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 71960236
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3974283

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide?
The IUPAC name of N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide (CID 5226918) is N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide?
The canonical SMILES for N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide is Cc1cc(Cl)ccc1NC(C)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide?
The InChIKey is WPJMQNDWTGLUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrClN3O2/c1-16-12-21(26)10-11-22(16)28-17(2)24(30)29-27-14-19-7-3-4-9-23(19)31-15-18-6-5-8-20(25)13-18/h3-14,17,28H,15H2,1-2H3,(H,29,30).
What are the key properties of N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide?
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide has a molecular weight of 500.82 g/mol, XLogP of 5.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-chloro-2-methylanilino)propanamide is sourced from PubChem (CID 5226918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).