N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide

C15H13ClFNO2 — CID 897315

IUPACN-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C15H13ClFNO2/c1-2-20-12-6-3-10(4-7-12)15(19)18-14-8-5-11(16)9-13(14)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyHMOBDTDFFYYMBY-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.13
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide

N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide (PubChem CID 897315) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
PubChem CID897315
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C15H13ClFNO2/c1-2-20-12-6-3-10(4-7-12)15(19)18-14-8-5-11(16)9-13(14)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyHMOBDTDFFYYMBY-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 7774576
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
N-(2-amino-5-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 29155614

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide (CID 897315) is N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide?
The InChIKey is HMOBDTDFFYYMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-2-20-12-6-3-10(4-7-12)15(19)18-14-8-5-11(16)9-13(14)17/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide?
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide has a molecular weight of 293.73 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide is sourced from PubChem (CID 897315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).