N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline

C19H14BrClN2O — CID 167431722

IUPACN-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline
SMILESClc1ccc(Oc2ccc(NN=Cc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C19H14BrClN2O/c20-15-3-1-14(2-4-15)13-22-23-17-7-11-19(12-8-17)24-18-9-5-16(21)6-10-18/h1-13,23H
InChIKeyKSNNOECWUYKIHO-UHFFFAOYSA-N
MW401.69 g/mol
LogP6.34
Rot. Bonds5

About N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline

N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline (PubChem CID 167431722) has the molecular formula C19H14BrClN2O and a molecular weight of 401.69 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline
PubChem CID167431722
Molecular FormulaC19H14BrClN2O
Molecular Weight401.69 g/mol
Exact Mass400.00
IUPAC NameN-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline
SMILESClc1ccc(Oc2ccc(NN=Cc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C19H14BrClN2O/c20-15-3-1-14(2-4-15)13-22-23-17-7-11-19(12-8-17)24-18-9-5-16(21)6-10-18/h1-13,23H
InChIKeyKSNNOECWUYKIHO-UHFFFAOYSA-N
XLogP6.34
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.69
LogP ≤ 56.34
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

4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenol
CID 135891453
N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine
CID 20987314
N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline
CID 169383529
4-[[(4-chlorophenyl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666048
N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
CID 169381600
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840847
N-[[4-(4-chlorophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617133
4-chloro-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840683
N-[(4-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 5261629

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline (CID 167431722) is N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline is Clc1ccc(Oc2ccc(NN=Cc3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline?
The InChIKey is KSNNOECWUYKIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN2O/c20-15-3-1-14(2-4-15)13-22-23-17-7-11-19(12-8-17)24-18-9-5-16(21)6-10-18/h1-13,23H.
What are the key properties of N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline?
N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline has a molecular weight of 401.69 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline is sourced from PubChem (CID 167431722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).