2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine

C16H17Cl2FN2 — CID 153408997

IUPAC2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine
SMILESCC(C)(Cc1ccc(Cl)c(F)c1)Nc1ccc(N)c(Cl)c1
InChIInChI=1S/C16H17Cl2FN2/c1-16(2,9-10-3-5-12(17)14(19)7-10)21-11-4-6-15(20)13(18)8-11/h3-8,21H,9,20H2,1-2H3
InChIKeyWQQLCVCDBRBXST-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.15
Rot. Bonds4

About 2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine

2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine (PubChem CID 153408997) has the molecular formula C16H17Cl2FN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine
PubChem CID153408997
Molecular FormulaC16H17Cl2FN2
Molecular Weight327.23 g/mol
Exact Mass326.08
IUPAC Name2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine
SMILESCC(C)(Cc1ccc(Cl)c(F)c1)Nc1ccc(N)c(Cl)c1
InChIInChI=1S/C16H17Cl2FN2/c1-16(2,9-10-3-5-12(17)14(19)7-10)21-11-4-6-15(20)13(18)8-11/h3-8,21H,9,20H2,1-2H3
InChIKeyWQQLCVCDBRBXST-UHFFFAOYSA-N
XLogP5.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 23109639
2-chloro-4-N-propylbenzene-1,4-diamine
CID 144516176
N-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentan-2-amine
CID 115621691
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
2-chloro-4-N-ethylbenzene-1,4-diamine
CID 68788899
3-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469040
1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
CID 107893302
1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
CID 82649708
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 114013897
N-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
CID 110833364
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine (CID 153408997) is 2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine is CC(C)(Cc1ccc(Cl)c(F)c1)Nc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine?
The InChIKey is WQQLCVCDBRBXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2FN2/c1-16(2,9-10-3-5-12(17)14(19)7-10)21-11-4-6-15(20)13(18)8-11/h3-8,21H,9,20H2,1-2H3.
What are the key properties of 2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine?
2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine has a molecular weight of 327.23 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 153408997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).