N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide

C16H16FNO3 — CID 60794299

IUPACN-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
SMILESCCOc1cc(NC(=O)c2ccc(F)cc2)ccc1OC
InChIInChI=1S/C16H16FNO3/c1-3-21-15-10-13(8-9-14(15)20-2)18-16(19)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyQZJDVVNMPLCLAM-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.49
Rot. Bonds5

About N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide

N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide (PubChem CID 60794299) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
PubChem CID60794299
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
SMILESCCOc1cc(NC(=O)c2ccc(F)cc2)ccc1OC
InChIInChI=1S/C16H16FNO3/c1-3-21-15-10-13(8-9-14(15)20-2)18-16(19)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyQZJDVVNMPLCLAM-UHFFFAOYSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(4-ethoxy-3-methoxyphenyl)-6-fluoropyridine-3-carboxamide
CID 63973929
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 39676955
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
CID 107208628
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
3-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-propoxybenzamide
CID 4850610
N-(3,4-diethoxyphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26878798

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide?
The IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide (CID 60794299) is N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide is CCOc1cc(NC(=O)c2ccc(F)cc2)ccc1OC.
What is the InChIKey of N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide?
The InChIKey is QZJDVVNMPLCLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-3-21-15-10-13(8-9-14(15)20-2)18-16(19)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide?
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide has a molecular weight of 289.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 60794299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).