5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide

C14H11Cl2FN2O — CID 107183229

IUPAC5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2FN2O/c1-7-4-8(17)2-3-12(7)19-14(20)10-5-9(18)6-11(15)13(10)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyRUNBQLBDLNQTBH-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.28
Rot. Bonds2

About 5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide

5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide (PubChem CID 107183229) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide
PubChem CID107183229
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2FN2O/c1-7-4-8(17)2-3-12(7)19-14(20)10-5-9(18)6-11(15)13(10)16/h2-6H,18H2,1H3,(H,19,20)
InChIKeyRUNBQLBDLNQTBH-UHFFFAOYSA-N
XLogP4.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 107183212
5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 103295873
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 107186123
5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide
CID 107185996
5-amino-2,3-dichloro-N-(2-chloro-5-methylphenyl)benzamide
CID 107624082
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide
CID 107183805
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide (CID 107183229) is 5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide is Cc1cc(F)ccc1NC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide?
The InChIKey is RUNBQLBDLNQTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-7-4-8(17)2-3-12(7)19-14(20)10-5-9(18)6-11(15)13(10)16/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide?
5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide has a molecular weight of 313.16 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 107183229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).