2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

C13H14Cl2FNO3 — CID 79039031

IUPAC2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2FNO3/c14-9-6-10(15)11(16)5-8(9)12(18)17-7-13(19)1-3-20-4-2-13/h5-6,19H,1-4,7H2,(H,17,18)
InChIKeyCQQAKMPDNKFJGS-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.40
Rot. Bonds3

About 2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (PubChem CID 79039031) has the molecular formula C13H14Cl2FNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
PubChem CID79039031
Molecular FormulaC13H14Cl2FNO3
Molecular Weight322.16 g/mol
Exact Mass321.03
IUPAC Name2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOCC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2FNO3/c14-9-6-10(15)11(16)5-8(9)12(18)17-7-13(19)1-3-20-4-2-13/h5-6,19H,1-4,7H2,(H,17,18)
InChIKeyCQQAKMPDNKFJGS-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445263
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445199
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81133927
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
CID 79039193
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2,4-dichloro-5-fluorobenzamide
CID 60524831
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-nitrobenzamide
CID 79037452
4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 82833099
2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039867

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (CID 79039031) is 2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is O=C(NCC1(O)CCOCC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The InChIKey is CQQAKMPDNKFJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FNO3/c14-9-6-10(15)11(16)5-8(9)12(18)17-7-13(19)1-3-20-4-2-13/h5-6,19H,1-4,7H2,(H,17,18).
What are the key properties of 2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide has a molecular weight of 322.16 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is sourced from PubChem (CID 79039031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).