N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide

C14H12ClFN2O — CID 81326271

IUPACN-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(N)cc2F)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-4-9(6-10(15)5-8)14(19)18-13-3-2-11(17)7-12(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyZYDKOQPJDPPBPM-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

About N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide

N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide (PubChem CID 81326271) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
PubChem CID81326271
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(N)cc2F)c1
InChIInChI=1S/C14H12ClFN2O/c1-8-4-9(6-10(15)5-8)14(19)18-13-3-2-11(17)7-12(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyZYDKOQPJDPPBPM-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

N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
CID 61111533
N-(2-bromo-5-fluorophenyl)-3-chloro-5-methylbenzamide
CID 103774481
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid
CID 81314313
N-(2-bromo-4-chlorophenyl)-3-fluoro-5-methylbenzamide
CID 112699952
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
N-(2-bromophenyl)-3-chloro-5-methylbenzamide
CID 80948909
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide?
The IUPAC name of N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide (CID 81326271) is N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide?
The canonical SMILES for N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)Nc2ccc(N)cc2F)c1.
What is the InChIKey of N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide?
The InChIKey is ZYDKOQPJDPPBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-4-9(6-10(15)5-8)14(19)18-13-3-2-11(17)7-12(13)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide?
N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide 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 N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide is sourced from PubChem (CID 81326271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).