4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline

C19H13Cl3FNO — CID 88990967

IUPAC4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C19H13Cl3FNO/c20-12-3-1-11(2-4-12)19(15-7-5-13(21)9-16(15)22)25-18-8-6-14(24)10-17(18)23/h1-10,19H,24H2
InChIKeyGDHFOPKTUFEDNR-UHFFFAOYSA-N
MW396.68 g/mol
LogP6.54
Rot. Bonds4

About 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline

4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline (PubChem CID 88990967) has the molecular formula C19H13Cl3FNO and a molecular weight of 396.68 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline
PubChem CID88990967
Molecular FormulaC19H13Cl3FNO
Molecular Weight396.68 g/mol
Exact Mass395.00
IUPAC Name4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C19H13Cl3FNO/c20-12-3-1-11(2-4-12)19(15-7-5-13(21)9-16(15)22)25-18-8-6-14(24)10-17(18)23/h1-10,19H,24H2
InChIKeyGDHFOPKTUFEDNR-UHFFFAOYSA-N
XLogP6.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.68
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyridin-3-amine
CID 142720961
2-[[4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluorobenzoyl]amino]-3-methylbutanoic acid
CID 70810951
(R)-(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanol
CID 27260955
O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
CID 155564613
N-tert-butyl-4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-methylbenzamide
CID 66558271
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
5-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyrazine-2-carboxylic acid
CID 142720957
4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 70810954
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
4-[1-(2,4-dichlorophenyl)cyclopentyl]oxy-3-fluoroaniline
CID 118456162
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline?
The IUPAC name of 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline (CID 88990967) is 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline?
The canonical SMILES for 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline is Nc1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline?
The InChIKey is GDHFOPKTUFEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3FNO/c20-12-3-1-11(2-4-12)19(15-7-5-13(21)9-16(15)22)25-18-8-6-14(24)10-17(18)23/h1-10,19H,24H2.
What are the key properties of 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline?
4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline has a molecular weight of 396.68 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 88990967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).