4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine

C13H12ClFN2O — CID 114271071

IUPAC4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
SMILESCOc1ccccc1Nc1c(N)ccc(Cl)c1F
InChIInChI=1S/C13H12ClFN2O/c1-18-11-5-3-2-4-10(11)17-13-9(16)7-6-8(14)12(13)15/h2-7,17H,16H2,1H3
InChIKeyAVCVXDSLBRUQFA-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.81
Rot. Bonds3

About 4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine

4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine (PubChem CID 114271071) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
PubChem CID114271071
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
SMILESCOc1ccccc1Nc1c(N)ccc(Cl)c1F
InChIInChI=1S/C13H12ClFN2O/c1-18-11-5-3-2-4-10(11)17-13-9(16)7-6-8(14)12(13)15/h2-7,17H,16H2,1H3
InChIKeyAVCVXDSLBRUQFA-UHFFFAOYSA-N
XLogP3.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2,4-dimethoxyphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62532309
2,3-dichloro-N-(2-methoxyphenyl)aniline
CID 82537063
ethyl 3-amino-2-(2-methoxyanilino)benzoate
CID 115933822
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
3-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,2-diamine
CID 107643367
5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552563
4-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10038418
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
2-methoxy-N-phenylaniline
CID 10910514
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
3-amino-5-chloro-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 103050320
4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
CID 63593633

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine (CID 114271071) is 4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine is COc1ccccc1Nc1c(N)ccc(Cl)c1F.
What is the InChIKey of 4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine?
The InChIKey is AVCVXDSLBRUQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-18-11-5-3-2-4-10(11)17-13-9(16)7-6-8(14)12(13)15/h2-7,17H,16H2,1H3.
What are the key properties of 4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine?
4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine has a molecular weight of 266.70 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 114271071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).