4-chloro-3-fluoro-N-phenylmethoxybenzamide

C14H11ClFNO2 — CID 103875522

IUPAC4-chloro-3-fluoro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClFNO2/c15-12-7-6-11(8-13(12)16)14(18)17-19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyJXJHCUZDANOLCW-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.34
Rot. Bonds4

About 4-chloro-3-fluoro-N-phenylmethoxybenzamide

4-chloro-3-fluoro-N-phenylmethoxybenzamide (PubChem CID 103875522) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-phenylmethoxybenzamide
PubChem CID103875522
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name4-chloro-3-fluoro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClFNO2/c15-12-7-6-11(8-13(12)16)14(18)17-19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChIKeyJXJHCUZDANOLCW-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 4990600
CID 4990600
CID 252925
CID 252925
CID 11460648
CID 11460648
CID 19581648
CID 19581648
CID 1348789
CID 1348789
CID 164618601
CID 164618601
CID 5243837
CID 5243837
CID 2804334
CID 2804334
CID 5344799
CID 5344799
CID 2803953
CID 2803953
CID 9227227
CID 9227227
CID 3025743
CID 3025743

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-phenylmethoxybenzamide?
The IUPAC name of 4-chloro-3-fluoro-N-phenylmethoxybenzamide (CID 103875522) is 4-chloro-3-fluoro-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-phenylmethoxybenzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-phenylmethoxybenzamide?
The InChIKey is JXJHCUZDANOLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-12-7-6-11(8-13(12)16)14(18)17-19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18).
What are the key properties of 4-chloro-3-fluoro-N-phenylmethoxybenzamide?
4-chloro-3-fluoro-N-phenylmethoxybenzamide has a molecular weight of 279.70 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-phenylmethoxybenzamide is sourced from PubChem (CID 103875522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).