N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline

C14H12Cl2FNO — CID 65315852

IUPACN-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NCc2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C14H12Cl2FNO/c1-19-14-5-3-11(7-13(14)17)18-8-9-6-10(15)2-4-12(9)16/h2-7,18H,8H2,1H3
InChIKeyBKTCIMZNNOLFAM-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.75
Rot. Bonds4

About N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline

N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline (PubChem CID 65315852) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
PubChem CID65315852
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NCc2cc(Cl)ccc2Cl)cc1F
InChIInChI=1S/C14H12Cl2FNO/c1-19-14-5-3-11(7-13(14)17)18-8-9-6-10(15)2-4-12(9)16/h2-7,18H,8H2,1H3
InChIKeyBKTCIMZNNOLFAM-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
2-chloro-6-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 112553741
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 115761993
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
CID 742591
4-chloro-3-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791660
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline
CID 102615901
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline (CID 65315852) is N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline is COc1ccc(NCc2cc(Cl)ccc2Cl)cc1F.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline?
The InChIKey is BKTCIMZNNOLFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c1-19-14-5-3-11(7-13(14)17)18-8-9-6-10(15)2-4-12(9)16/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline?
N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline has a molecular weight of 300.16 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 65315852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).