2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide

C17H11Cl2FN2O — CID 110299117

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2nc1Cl
InChIInChI=1S/C17H11Cl2FN2O/c18-12-4-1-10(2-5-12)9-21-17(23)14-7-11-3-6-13(20)8-15(11)22-16(14)19/h1-8H,9H2,(H,21,23)
InChIKeyNNUSBBWDCRLOEX-UHFFFAOYSA-N
MW349.19 g/mol
LogP4.61
Rot. Bonds3

About 2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide

2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide (PubChem CID 110299117) has the molecular formula C17H11Cl2FN2O and a molecular weight of 349.19 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide
PubChem CID110299117
Molecular FormulaC17H11Cl2FN2O
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2nc1Cl
InChIInChI=1S/C17H11Cl2FN2O/c18-12-4-1-10(2-5-12)9-21-17(23)14-7-11-3-6-13(20)8-15(11)22-16(14)19/h1-8H,9H2,(H,21,23)
InChIKeyNNUSBBWDCRLOEX-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-7-fluoro-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide
CID 110299119
2-chloro-7-fluoro-N-[(3-methylphenyl)methyl]quinoline-3-carboxamide
CID 110299110
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-7-fluoroquinoline-3-carboxamide
CID 110299120
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
2-chloro-7-fluoro-N-[3-(4-fluorophenoxy)propyl]quinoline-3-carboxamide
CID 110307324
6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
2-chloro-7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]quinoline-3-carboxamide
CID 110299153
2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide
CID 110303168
2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299173
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide (CID 110299117) is 2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc2ccc(F)cc2nc1Cl.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide?
The InChIKey is NNUSBBWDCRLOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O/c18-12-4-1-10(2-5-12)9-21-17(23)14-7-11-3-6-13(20)8-15(11)22-16(14)19/h1-8H,9H2,(H,21,23).
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide?
2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]-7-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 110299117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).