3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide

C14H13ClFN3O — CID 82988504

IUPAC3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2cccc(Cl)c2F)c(N)c1
InChIInChI=1S/C14H13ClFN3O/c1-18-14(20)8-5-6-11(10(17)7-8)19-12-4-2-3-9(15)13(12)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyADUXRKBIRKYZGF-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.16
Rot. Bonds3

About 3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide

3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide (PubChem CID 82988504) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide
PubChem CID82988504
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2cccc(Cl)c2F)c(N)c1
InChIInChI=1S/C14H13ClFN3O/c1-18-14(20)8-5-6-11(10(17)7-8)19-12-4-2-3-9(15)13(12)16/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyADUXRKBIRKYZGF-UHFFFAOYSA-N
XLogP3.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2,3-difluoroanilino)-N-methylbenzamide
CID 82988443
3-amino-4-(2,4-dichloroanilino)-N-methylbenzamide
CID 82988433
3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide
CID 82989111
3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide
CID 100628080
3-amino-4-(2-fluoro-3-methylanilino)benzoic acid
CID 114254947
3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide
CID 107634382
3-N-(3-chloro-2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 55147951
2-amino-5-(3-chloro-2-fluoroanilino)benzamide
CID 55134954
3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide
CID 82988904
4-amino-3-(2,6-difluoroanilino)-N-methylbenzamide
CID 63357203
ethyl 5-amino-2-(3-chloro-2-fluoroanilino)benzoate
CID 63425405
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide (CID 82988504) is 3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide is CNC(=O)c1ccc(Nc2cccc(Cl)c2F)c(N)c1.
What is the InChIKey of 3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide?
The InChIKey is ADUXRKBIRKYZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-18-14(20)8-5-6-11(10(17)7-8)19-12-4-2-3-9(15)13(12)16/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide?
3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide has a molecular weight of 293.73 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide is sourced from PubChem (CID 82988504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).