2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide

C16H14ClF2NO2 — CID 42563597

IUPAC2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc([C@H](C)NC(=O)c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C16H14ClF2NO2/c1-9(10-4-3-5-11(6-10)22-2)20-16(21)12-7-14(18)15(19)8-13(12)17/h3-9H,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyQEJKVYAELWDUJO-VIFPVBQESA-N
MW325.74 g/mol
LogP4.12
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide

2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 42563597) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID42563597
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC Name2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc([C@H](C)NC(=O)c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C16H14ClF2NO2/c1-9(10-4-3-5-11(6-10)22-2)20-16(21)12-7-14(18)15(19)8-13(12)17/h3-9H,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyQEJKVYAELWDUJO-VIFPVBQESA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
2,4-dichloro-5-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 18275060
2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 2970246
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
CID 81355155
2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213570
4-chloro-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 6467522
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide (CID 42563597) is 2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide is COc1cccc([C@H](C)NC(=O)c2cc(F)c(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is QEJKVYAELWDUJO-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c1-9(10-4-3-5-11(6-10)22-2)20-16(21)12-7-14(18)15(19)8-13(12)17/h3-9H,1-2H3,(H,20,21)/t9-/m0/s1.
What are the key properties of 2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide?
2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 325.74 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 42563597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).