N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide

C16H15F2NO3 — CID 110781026

IUPACN-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C16H15F2NO3/c1-21-14-6-4-11(8-15(14)22-2)16(20)19-9-10-3-5-12(17)13(18)7-10/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyQOXALIWBXWUJRX-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.91
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide

N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide (PubChem CID 110781026) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
PubChem CID110781026
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C16H15F2NO3/c1-21-14-6-4-11(8-15(14)22-2)16(20)19-9-10-3-5-12(17)13(18)7-10/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyQOXALIWBXWUJRX-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[(3,4-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85470509
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109237922
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
N-[(3-amino-4-methoxyphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 82873015

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide (CID 110781026) is N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide?
The InChIKey is QOXALIWBXWUJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-21-14-6-4-11(8-15(14)22-2)16(20)19-9-10-3-5-12(17)13(18)7-10/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide?
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide has a molecular weight of 307.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 110781026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).