2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide

C17H14Cl2F2N2O — CID 52701753

IUPAC2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(F)c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2F2N2O/c18-12-9-13(19)14(20)8-11(12)17(24)22-10-3-4-16(15(21)7-10)23-5-1-2-6-23/h3-4,7-9H,1-2,5-6H2,(H,22,24)
InChIKeyABZGDPLNIQXWFA-UHFFFAOYSA-N
MW371.21 g/mol
LogP5.12
Rot. Bonds3

About 2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide

2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 52701753) has the molecular formula C17H14Cl2F2N2O and a molecular weight of 371.21 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID52701753
Molecular FormulaC17H14Cl2F2N2O
Molecular Weight371.21 g/mol
Exact Mass370.05
IUPAC Name2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(F)c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2F2N2O/c18-12-9-13(19)14(20)8-11(12)17(24)22-10-3-4-16(15(21)7-10)23-5-1-2-6-23/h3-4,7-9H,1-2,5-6H2,(H,22,24)
InChIKeyABZGDPLNIQXWFA-UHFFFAOYSA-N
XLogP5.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.21
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-fluoro-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 47049176
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91676429
N-(3-chloro-4-fluorophenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9208214
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 47311910
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide (CID 52701753) is 2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is ABZGDPLNIQXWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N2O/c18-12-9-13(19)14(20)8-11(12)17(24)22-10-3-4-16(15(21)7-10)23-5-1-2-6-23/h3-4,7-9H,1-2,5-6H2,(H,22,24).
What are the key properties of 2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide?
2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 371.21 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 52701753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).