N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide

C14H11Cl2FN2O — CID 107578422

IUPACN-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2FN2O/c1-18-9-4-2-8(3-5-9)14(20)19-10-6-11(15)13(17)12(16)7-10/h2-7,18H,1H3,(H,19,20)
InChIKeyLGBRCRKHIYOOFL-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.43
Rot. Bonds3

About N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide

N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide (PubChem CID 107578422) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide
PubChem CID107578422
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2FN2O/c1-18-9-4-2-8(3-5-9)14(20)19-10-6-11(15)13(17)12(16)7-10/h2-7,18H,1H3,(H,19,20)
InChIKeyLGBRCRKHIYOOFL-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571216
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide
CID 114253893
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
3,5-dichloro-4-fluoro-N-methylaniline
CID 103579814
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
4-methyl-N-(3,4,5-trichlorophenyl)benzamide
CID 18739044
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107578414
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide (CID 107578422) is N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide is CNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide?
The InChIKey is LGBRCRKHIYOOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-18-9-4-2-8(3-5-9)14(20)19-10-6-11(15)13(17)12(16)7-10/h2-7,18H,1H3,(H,19,20).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide?
N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide has a molecular weight of 313.16 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide is sourced from PubChem (CID 107578422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).