methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate

C19H18ClF2NO4 — CID 55436102

IUPACmethyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF2NO4/c1-26-18(25)11-16(13-4-6-14(20)7-5-13)23-17(24)10-12-2-8-15(9-3-12)27-19(21)22/h2-9,16,19H,10-11H2,1H3,(H,23,24)
InChIKeyGPVXCILSOQAARY-UHFFFAOYSA-N
MW397.81 g/mol
LogP3.90
Rot. Bonds8

About methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate

methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate (PubChem CID 55436102) has the molecular formula C19H18ClF2NO4 and a molecular weight of 397.81 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate
PubChem CID55436102
Molecular FormulaC19H18ClF2NO4
Molecular Weight397.81 g/mol
Exact Mass397.09
IUPAC Namemethyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClF2NO4/c1-26-18(25)11-16(13-4-6-14(20)7-5-13)23-17(24)10-12-2-8-15(9-3-12)27-19(21)22/h2-9,16,19H,10-11H2,1H3,(H,23,24)
InChIKeyGPVXCILSOQAARY-UHFFFAOYSA-N
XLogP3.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
(3R)-3-[[2-(4-chlorophenyl)acetyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1263720
methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
CID 65234653
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818457
3-acetamido-3-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 51195341
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate
CID 134015779
methyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate;hydrochloride
CID 174705729
methyl 3-(4-chlorophenyl)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]propanoate
CID 55608334
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
CID 5038466
(3R)-3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 2305123

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate (CID 55436102) is methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate is COC(=O)CC(NC(=O)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate?
The InChIKey is GPVXCILSOQAARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2NO4/c1-26-18(25)11-16(13-4-6-14(20)7-5-13)23-17(24)10-12-2-8-15(9-3-12)27-19(21)22/h2-9,16,19H,10-11H2,1H3,(H,23,24).
What are the key properties of methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate?
methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate has a molecular weight of 397.81 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate is sourced from PubChem (CID 55436102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).