(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone

C14H10BrClFNO2 — CID 103396687

IUPAC(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-6-11(17)9(15)5-8(13)14(19)7-2-3-12(18)10(16)4-7/h2-6H,18H2,1H3
InChIKeyPZRVHLCTRRQQDN-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.06
Rot. Bonds3

About (4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone

(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone (PubChem CID 103396687) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
PubChem CID103396687
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-6-11(17)9(15)5-8(13)14(19)7-2-3-12(18)10(16)4-7/h2-6H,18H2,1H3
InChIKeyPZRVHLCTRRQQDN-UHFFFAOYSA-N
XLogP4.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396702
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994531
(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 79773205

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone (CID 103396687) is (4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone is COc1cc(F)c(Br)cc1C(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of (4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone?
The InChIKey is PZRVHLCTRRQQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-13-6-11(17)9(15)5-8(13)14(19)7-2-3-12(18)10(16)4-7/h2-6H,18H2,1H3.
What are the key properties of (4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone?
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone has a molecular weight of 358.59 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 103396687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).