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

C14H12ClFN2O — CID 115736624

IUPACN-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(N)c2)ccc1Cl
InChIInChI=1S/C14H12ClFN2O/c1-8-6-9(2-4-11(8)15)14(19)18-10-3-5-12(16)13(17)7-10/h2-7H,17H2,1H3,(H,18,19)
InChIKeyRXMJFZQFOSKMBY-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.62
Rot. Bonds2

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

N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide (PubChem CID 115736624) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
PubChem CID115736624
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC NameN-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(N)c2)ccc1Cl
InChIInChI=1S/C14H12ClFN2O/c1-8-6-9(2-4-11(8)15)14(19)18-10-3-5-12(16)13(17)7-10/h2-7H,17H2,1H3,(H,18,19)
InChIKeyRXMJFZQFOSKMBY-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-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
3-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725727
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
CID 82874897
N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide (CID 115736624) is N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(F)c(N)c2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide?
The InChIKey is RXMJFZQFOSKMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-6-9(2-4-11(8)15)14(19)18-10-3-5-12(16)13(17)7-10/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide?
N-(3-amino-4-fluorophenyl)-4-chloro-3-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-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide is sourced from PubChem (CID 115736624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).