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

C14H12ClFN2O — CID 79048624

IUPAC4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2ccc(N)cc2Cl)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-4-9(16)6-11(5-8)18-14(19)12-3-2-10(17)7-13(12)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyAZROBBUTIVRLRH-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

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

4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide (PubChem CID 79048624) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
PubChem CID79048624
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2ccc(N)cc2Cl)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-4-9(16)6-11(5-8)18-14(19)12-3-2-10(17)7-13(12)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyAZROBBUTIVRLRH-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.62
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

4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
2-chloro-N-(3-fluoro-5-methylphenyl)-4-nitrobenzamide
CID 79044512
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
CID 43168230
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81232937
4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
CID 28748853
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
CID 113345345

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide (CID 79048624) is 4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide is Cc1cc(F)cc(NC(=O)c2ccc(N)cc2Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide?
The InChIKey is AZROBBUTIVRLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-4-9(16)6-11(5-8)18-14(19)12-3-2-10(17)7-13(12)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide?
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide has a molecular weight of 278.71 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 79048624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).