N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide

C21H20BrN3O2 — CID 3564415

IUPACN-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H20BrN3O2/c1-14(24-19-9-7-15-5-3-4-6-16(15)12-19)21(26)25-23-13-17-11-18(22)8-10-20(17)27-2/h3-14,24H,1-2H3,(H,25,26)
InChIKeyBBCAYZJNSDZIMJ-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.56
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide

N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide (PubChem CID 3564415) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
PubChem CID3564415
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H20BrN3O2/c1-14(24-19-9-7-15-5-3-4-6-16(15)12-19)21(26)25-23-13-17-11-18(22)8-10-20(17)27-2/h3-14,24H,1-2H3,(H,25,26)
InChIKeyBBCAYZJNSDZIMJ-UHFFFAOYSA-N
XLogP4.56
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.56
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

(2R)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 136858303
(2S)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 135688928
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957637
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3393600
2-bromo-N-[1-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3551447
(2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390583
(2S)-N-[(2-chlorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 1278023
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide
CID 3535801
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 4264339
N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 75539036
(2R)-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 136720623

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide (CID 3564415) is N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide is COc1ccc(Br)cc1C=NNC(=O)C(C)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
The InChIKey is BBCAYZJNSDZIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2/c1-14(24-19-9-7-15-5-3-4-6-16(15)12-19)21(26)25-23-13-17-11-18(22)8-10-20(17)27-2/h3-14,24H,1-2H3,(H,25,26).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide?
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide has a molecular weight of 426.31 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide is sourced from PubChem (CID 3564415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).