2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide

C19H21F2NO4 — CID 51954351

IUPAC2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
SMILESCOCCOc1ccc([C@H](C)NC(=O)c2c(F)cccc2F)cc1OC
InChIInChI=1S/C19H21F2NO4/c1-12(22-19(23)18-14(20)5-4-6-15(18)21)13-7-8-16(17(11-13)25-3)26-10-9-24-2/h4-8,11-12H,9-10H2,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyMXLMECZNMGKXHO-LBPRGKRZSA-N
MW365.38 g/mol
LogP3.49
Rot. Bonds8

About 2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide

2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide (PubChem CID 51954351) has the molecular formula C19H21F2NO4 and a molecular weight of 365.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
PubChem CID51954351
Molecular FormulaC19H21F2NO4
Molecular Weight365.38 g/mol
Exact Mass365.14
IUPAC Name2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
SMILESCOCCOc1ccc([C@H](C)NC(=O)c2c(F)cccc2F)cc1OC
InChIInChI=1S/C19H21F2NO4/c1-12(22-19(23)18-14(20)5-4-6-15(18)21)13-7-8-16(17(11-13)25-3)26-10-9-24-2/h4-8,11-12H,9-10H2,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyMXLMECZNMGKXHO-LBPRGKRZSA-N
XLogP3.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
3-(2,6-difluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]prop-2-enamide
CID 55797709
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 34240994
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
1-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 55809027
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
N-[[(2,6-difluorobenzoyl)amino]-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 2421298
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate
CID 55881567
3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55797617
2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 78890426

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide (CID 51954351) is 2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide is COCCOc1ccc([C@H](C)NC(=O)c2c(F)cccc2F)cc1OC.
What is the InChIKey of 2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide?
The InChIKey is MXLMECZNMGKXHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21F2NO4/c1-12(22-19(23)18-14(20)5-4-6-15(18)21)13-7-8-16(17(11-13)25-3)26-10-9-24-2/h4-8,11-12H,9-10H2,1-3H3,(H,22,23)/t12-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide?
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide has a molecular weight of 365.38 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 51954351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).