4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide

C16H15ClFNO2 — CID 94472484

IUPAC4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H15ClFNO2/c1-2-21-15-6-4-3-5-11(15)10-19-16(20)13-8-7-12(17)9-14(13)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyLRVAKCXBWIXLQL-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.81
Rot. Bonds5

About 4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide

4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide (PubChem CID 94472484) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
PubChem CID94472484
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H15ClFNO2/c1-2-21-15-6-4-3-5-11(15)10-19-16(20)13-8-7-12(17)9-14(13)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyLRVAKCXBWIXLQL-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 56920573
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
N-[(2-ethoxyphenyl)methyl]-2-ethylsulfanylbenzamide
CID 53285872
4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide
CID 110008175
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866
5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845732
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide (CID 94472484) is 4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide is CCOc1ccccc1CNC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide?
The InChIKey is LRVAKCXBWIXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-2-21-15-6-4-3-5-11(15)10-19-16(20)13-8-7-12(17)9-14(13)18/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide?
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide has a molecular weight of 307.75 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 94472484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).