N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide

C18H19F2NO3 — CID 75374492

IUPACN-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(CO)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C18H19F2NO3/c1-24-16-5-2-13(3-6-16)18(23)21-10-12(11-22)8-14-9-15(19)4-7-17(14)20/h2-7,9,12,22H,8,10-11H2,1H3,(H,21,23)
InChIKeyPQWHIDDIAWEIOF-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.55
Rot. Bonds7

About N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide

N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide (PubChem CID 75374492) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide
PubChem CID75374492
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC NameN-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(CO)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C18H19F2NO3/c1-24-16-5-2-13(3-6-16)18(23)21-10-12(11-22)8-14-9-15(19)4-7-17(14)20/h2-7,9,12,22H,8,10-11H2,1H3,(H,21,23)
InChIKeyPQWHIDDIAWEIOF-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55996525
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
tert-butyl N-[3-[(2,5-difluorophenyl)methyl]-4-hydroxybutyl]carbamate
CID 139293274
N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166521
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 111102262
3-[[(4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 81066104
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide (CID 75374492) is N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(CO)Cc2cc(F)ccc2F)cc1.
What is the InChIKey of N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide?
The InChIKey is PQWHIDDIAWEIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-24-16-5-2-13(3-6-16)18(23)21-10-12(11-22)8-14-9-15(19)4-7-17(14)20/h2-7,9,12,22H,8,10-11H2,1H3,(H,21,23).
What are the key properties of N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide?
N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide has a molecular weight of 335.35 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide is sourced from PubChem (CID 75374492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).