(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone

C18H14ClNO — CID 115937369

IUPAC(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C18H14ClNO/c1-11-9-10-12-5-2-3-6-13(12)16(11)18(21)14-7-4-8-15(20)17(14)19/h2-10H,20H2,1H3
InChIKeyDMYYCNMSAJYZSJ-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.61
Rot. Bonds2

About (3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone

(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone (PubChem CID 115937369) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
PubChem CID115937369
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C18H14ClNO/c1-11-9-10-12-5-2-3-6-13(12)16(11)18(21)14-7-4-8-15(20)17(14)19/h2-10H,20H2,1H3
InChIKeyDMYYCNMSAJYZSJ-UHFFFAOYSA-N
XLogP4.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-6-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430902
(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107981732
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430855
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
CID 81430771
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600
(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 112580805
2-chloro-1-(2-methylnaphthalen-1-yl)butan-1-one
CID 146007450

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone (CID 115937369) is (3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone is Cc1ccc2ccccc2c1C(=O)c1cccc(N)c1Cl.
What is the InChIKey of (3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is DMYYCNMSAJYZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-11-9-10-12-5-2-3-6-13(12)16(11)18(21)14-7-4-8-15(20)17(14)19/h2-10H,20H2,1H3.
What are the key properties of (3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone?
(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 295.77 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 115937369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).