3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine

C19H14ClF3N2 — CID 67733046

IUPAC3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine
SMILESNc1ccc(-c2ccccc2)c(Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C19H14ClF3N2/c20-13-6-9-17(16(10-13)19(21,22)23)25-18-11-14(24)7-8-15(18)12-4-2-1-3-5-12/h1-11,25H,24H2
InChIKeyCMKDDEHJDAPNLX-UHFFFAOYSA-N
MW362.78 g/mol
LogP6.35
Rot. Bonds3

About 3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine

3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine (PubChem CID 67733046) has the molecular formula C19H14ClF3N2 and a molecular weight of 362.78 g/mol. Its IUPAC name is 3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine
PubChem CID67733046
Molecular FormulaC19H14ClF3N2
Molecular Weight362.78 g/mol
Exact Mass362.08
IUPAC Name3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine
SMILESNc1ccc(-c2ccccc2)c(Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C19H14ClF3N2/c20-13-6-9-17(16(10-13)19(21,22)23)25-18-11-14(24)7-8-15(18)12-4-2-1-3-5-12/h1-11,25H,24H2
InChIKeyCMKDDEHJDAPNLX-UHFFFAOYSA-N
XLogP6.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.78
LogP ≤ 56.35
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

3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzene-1,3-diamine
CID 63401990
1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63403125
4-phenyl-3-(trifluoromethyl)aniline
CID 16768764
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-difluorobenzene-1,4-diamine
CID 63402036
1-N-(2-iodophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402341
1-N-(2,6-dichlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 65468899
2-chloro-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylbenzene-1,4-diamine
CID 115554494
5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532239
1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 60926447
1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935755
4-(4-aminophenyl)-3-N-naphthalen-1-ylbenzene-1,3-diamine
CID 90757689
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80911630

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine?
The IUPAC name of 3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine (CID 67733046) is 3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine is Nc1ccc(-c2ccccc2)c(Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of 3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine?
The InChIKey is CMKDDEHJDAPNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2/c20-13-6-9-17(16(10-13)19(21,22)23)25-18-11-14(24)7-8-15(18)12-4-2-1-3-5-12/h1-11,25H,24H2.
What are the key properties of 3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine?
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine has a molecular weight of 362.78 g/mol, XLogP of 6.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbenzene-1,3-diamine is sourced from PubChem (CID 67733046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).