N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine

C16H11ClFN — CID 69169805

IUPACN-(3-chlorophenyl)-4-fluoronaphthalen-1-amine
SMILESFc1ccc(Nc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C16H11ClFN/c17-11-4-3-5-12(10-11)19-16-9-8-15(18)13-6-1-2-7-14(13)16/h1-10,19H
InChIKeyCBNCENYOVQRXBW-UHFFFAOYSA-N
MW271.72 g/mol
LogP5.38
Rot. Bonds2

About N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine

N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine (PubChem CID 69169805) has the molecular formula C16H11ClFN and a molecular weight of 271.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-fluoronaphthalen-1-amine
PubChem CID69169805
Molecular FormulaC16H11ClFN
Molecular Weight271.72 g/mol
Exact Mass271.06
IUPAC NameN-(3-chlorophenyl)-4-fluoronaphthalen-1-amine
SMILESFc1ccc(Nc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C16H11ClFN/c17-11-4-3-5-12(10-11)19-16-9-8-15(18)13-6-1-2-7-14(13)16/h1-10,19H
InChIKeyCBNCENYOVQRXBW-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.72
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-N-(4-chloro-2-fluorophenyl)benzene-1,3-diamine
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1-N,4-N-diphenylnaphthalene-1,4-diamine
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3-chloro-4-(3-chloroanilino)benzonitrile
CID 63510074
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
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4-fluoro-N-methylnaphthalen-1-amine
CID 67709157
1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
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5-chloro-N-(3-chlorophenyl)pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine?
The IUPAC name of N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine (CID 69169805) is N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine is Fc1ccc(Nc2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine?
The InChIKey is CBNCENYOVQRXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN/c17-11-4-3-5-12(10-11)19-16-9-8-15(18)13-6-1-2-7-14(13)16/h1-10,19H.
What are the key properties of N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine?
N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine has a molecular weight of 271.72 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine is sourced from PubChem (CID 69169805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).