2-anilino-3-chloronaphthalene-1,4-dione

C16H10ClNO2 — CID 14161

IUPAC2-anilino-3-chloronaphthalene-1,4-dione
SMILESO=C1C(Cl)=C(Nc2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C16H10ClNO2/c17-13-14(18-10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h1-9,18H
InChIKeyCIWCIDRTACZSAZ-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.63
Rot. Bonds2

About 2-anilino-3-chloronaphthalene-1,4-dione

2-anilino-3-chloronaphthalene-1,4-dione (PubChem CID 14161) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-anilino-3-chloronaphthalene-1,4-dione.

Molecular Properties

Compound Name2-anilino-3-chloronaphthalene-1,4-dione
PubChem CID14161
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name2-anilino-3-chloronaphthalene-1,4-dione
SMILESO=C1C(Cl)=C(Nc2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C16H10ClNO2/c17-13-14(18-10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h1-9,18H
InChIKeyCIWCIDRTACZSAZ-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

2-Phenylamino-1,4-naphthoquinone
CID 81124
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
Mls002608293
CID 237490
4-(4-Toluidino)-1,2-naphthalenedione
CID 272567
2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione
CID 781109
2-Amino-3-(m-tolylamino)naphthalene-1,4-dione
CID 11976150
DHOD Inhibitor, 1
CID 5741460
4-[(2,4-Dimethylphenyl)amino]naphthalene-1,2-dione
CID 272555
2-Chloro-3-[4-(dimethylamino)anilino]naphthalene-1,4-dione
CID 260557
2-(4-Methylanilino)naphthalene-1,4-dione
CID 279009
2-((4-Chlorophenyl)amino)naphthalene-1,4-dione
CID 279010
2-{[3-(Trifluoromethyl)phenyl]amino}naphthalene-1,4-dione
CID 674116

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-chloronaphthalene-1,4-dione?
The IUPAC name of 2-anilino-3-chloronaphthalene-1,4-dione (CID 14161) is 2-anilino-3-chloronaphthalene-1,4-dione.
What is the SMILES notation for 2-anilino-3-chloronaphthalene-1,4-dione?
The canonical SMILES for 2-anilino-3-chloronaphthalene-1,4-dione is O=C1C(Cl)=C(Nc2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 2-anilino-3-chloronaphthalene-1,4-dione?
The InChIKey is CIWCIDRTACZSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-13-14(18-10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h1-9,18H.
What are the key properties of 2-anilino-3-chloronaphthalene-1,4-dione?
2-anilino-3-chloronaphthalene-1,4-dione has a molecular weight of 283.71 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-chloronaphthalene-1,4-dione is sourced from PubChem (CID 14161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).