4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide

C17H17ClFNO2 — CID 95161875

IUPAC4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H17ClFNO2/c1-11-5-3-4-6-16(11)22-10-12(2)20-17(21)14-8-7-13(18)9-15(14)19/h3-9,12H,10H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyIYKKGRWQELQZBS-GFCCVEGCSA-N
MW321.78 g/mol
LogP3.98
Rot. Bonds5

About 4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide

4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide (PubChem CID 95161875) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
PubChem CID95161875
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H17ClFNO2/c1-11-5-3-4-6-16(11)22-10-12(2)20-17(21)14-8-7-13(18)9-15(14)19/h3-9,12H,10H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyIYKKGRWQELQZBS-GFCCVEGCSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
CID 133160972
3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 50874611
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539
2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 100614435
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-methylsulfanylbenzamide
CID 94623512
4-chloro-N-(4-chlorobutan-2-yl)-2-fluorobenzamide
CID 83187469
2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133199387
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-propan-2-ylsulfanylbenzamide
CID 95164068
(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
CID 99996229
2-(3-chlorophenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132652826
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide (CID 95161875) is 4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide is Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide?
The InChIKey is IYKKGRWQELQZBS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-11-5-3-4-6-16(11)22-10-12(2)20-17(21)14-8-7-13(18)9-15(14)19/h3-9,12H,10H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide?
4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide has a molecular weight of 321.78 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 95161875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).