2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide

C20H24FN3O2 — CID 68559534

IUPAC2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide
SMILESCc1ccc(NC(=O)CCCCC(C(N)=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C20H24FN3O2/c1-13-6-9-15(10-7-13)24-19(25)5-3-2-4-17(20(23)26)16-11-8-14(21)12-18(16)22/h6-12,17H,2-5,22H2,1H3,(H2,23,26)(H,24,25)
InChIKeyAZKYSXMUAWSKEN-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.48
Rot. Bonds8

About 2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide

2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide (PubChem CID 68559534) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide
PubChem CID68559534
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide
SMILESCc1ccc(NC(=O)CCCCC(C(N)=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C20H24FN3O2/c1-13-6-9-15(10-7-13)24-19(25)5-3-2-4-17(20(23)26)16-11-8-14(21)12-18(16)22/h6-12,17H,2-5,22H2,1H3,(H2,23,26)(H,24,25)
InChIKeyAZKYSXMUAWSKEN-UHFFFAOYSA-N
XLogP3.48
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 43304409
2-(2-methoxyphenyl)-N'-phenyloctanediamide
CID 66892971
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
7-methyl-N-(4-methylphenyl)-8-oxononanamide
CID 86156730
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-(4-methylphenyl)pentanamide
CID 3662375
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N'-(2-amino-4-tert-butylphenyl)-N-(4-fluorophenyl)heptanediamide
CID 45255100
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide (CID 68559534) is 2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide is Cc1ccc(NC(=O)CCCCC(C(N)=O)c2ccc(F)cc2N)cc1.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide?
The InChIKey is AZKYSXMUAWSKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-13-6-9-15(10-7-13)24-19(25)5-3-2-4-17(20(23)26)16-11-8-14(21)12-18(16)22/h6-12,17H,2-5,22H2,1H3,(H2,23,26)(H,24,25).
What are the key properties of 2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide?
2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide has a molecular weight of 357.43 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)-N'-(4-methylphenyl)heptanediamide is sourced from PubChem (CID 68559534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).