2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide

C14H11Cl2FN2O — CID 107578408

IUPAC2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(N)c1
InChIInChI=1S/C14H11Cl2FN2O/c1-7-2-3-9(12(18)4-7)14(20)19-8-5-10(15)13(17)11(16)6-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyRVDFPYKSAWZSMM-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.28
Rot. Bonds2

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

2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide (PubChem CID 107578408) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide
PubChem CID107578408
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(N)c1
InChIInChI=1S/C14H11Cl2FN2O/c1-7-2-3-9(12(18)4-7)14(20)19-8-5-10(15)13(17)11(16)6-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyRVDFPYKSAWZSMM-UHFFFAOYSA-N
XLogP4.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
CID 107335598
4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107578409
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide
CID 82884847
4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571216
5-amino-2-bromo-N-(3,5-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 107571202
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide?
The IUPAC name of 2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide (CID 107578408) is 2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide?
The canonical SMILES for 2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(N)c1.
What is the InChIKey of 2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide?
The InChIKey is RVDFPYKSAWZSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-7-2-3-9(12(18)4-7)14(20)19-8-5-10(15)13(17)11(16)6-8/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide?
2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide has a molecular weight of 313.16 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide is sourced from PubChem (CID 107578408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).