N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide

C14H12ClFN2O — CID 61297313

IUPACN-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1Cl)c1cccc(N)c1
InChIInChI=1S/C14H12ClFN2O/c1-18(11-4-2-3-10(17)8-11)14(19)12-6-5-9(16)7-13(12)15/h2-8H,17H2,1H3
InChIKeySAVNWLAGOCYLAP-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.34
Rot. Bonds2

About N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide

N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide (PubChem CID 61297313) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide
PubChem CID61297313
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1Cl)c1cccc(N)c1
InChIInChI=1S/C14H12ClFN2O/c1-18(11-4-2-3-10(17)8-11)14(19)12-6-5-9(16)7-13(12)15/h2-8H,17H2,1H3
InChIKeySAVNWLAGOCYLAP-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide (CID 61297313) is N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1Cl)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide?
The InChIKey is SAVNWLAGOCYLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-18(11-4-2-3-10(17)8-11)14(19)12-6-5-9(16)7-13(12)15/h2-8H,17H2,1H3.
What are the key properties of N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide?
N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide has a molecular weight of 278.71 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 61297313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).