(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone

C17H11BrClNO — CID 82779875

IUPAC(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
SMILESNc1ccc(C(=O)c2ccc(Br)c3ccccc23)cc1Cl
InChIInChI=1S/C17H11BrClNO/c18-14-7-6-13(11-3-1-2-4-12(11)14)17(21)10-5-8-16(20)15(19)9-10/h1-9H,20H2
InChIKeyCRRFJDNVDNPORU-UHFFFAOYSA-N
MW360.64 g/mol
LogP5.07
Rot. Bonds2

About (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone

(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone (PubChem CID 82779875) has the molecular formula C17H11BrClNO and a molecular weight of 360.64 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
PubChem CID82779875
Molecular FormulaC17H11BrClNO
Molecular Weight360.64 g/mol
Exact Mass358.97
IUPAC Name(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
SMILESNc1ccc(C(=O)c2ccc(Br)c3ccccc23)cc1Cl
InChIInChI=1S/C17H11BrClNO/c18-14-7-6-13(11-3-1-2-4-12(11)14)17(21)10-5-8-16(20)15(19)9-10/h1-9H,20H2
InChIKeyCRRFJDNVDNPORU-UHFFFAOYSA-N
XLogP5.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994531
(3-amino-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79593248
(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone
CID 79593276
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(4-amino-3-bromophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994532
(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475637
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687
(4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone
CID 114971956
(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 82779402
(4-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884976

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone (CID 82779875) is (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone is Nc1ccc(C(=O)c2ccc(Br)c3ccccc23)cc1Cl.
What is the InChIKey of (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone?
The InChIKey is CRRFJDNVDNPORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClNO/c18-14-7-6-13(11-3-1-2-4-12(11)14)17(21)10-5-8-16(20)15(19)9-10/h1-9H,20H2.
What are the key properties of (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone?
(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone has a molecular weight of 360.64 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone is sourced from PubChem (CID 82779875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).