phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate

C24H20F4N2O4 — CID 122648168

IUPACphenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESCN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)Oc1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H20F4N2O4/c1-30(18-7-9-20(10-8-18)33-23(27)28)22(31)21(13-15-11-16(25)14-17(26)12-15)29-24(32)34-19-5-3-2-4-6-19/h2-12,14,21,23H,13H2,1H3,(H,29,32)/t21-/m0/s1
InChIKeyPDUWLZKMLWLTRL-NRFANRHFSA-N
MW476.43 g/mol
LogP4.93
Rot. Bonds8

About phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate

phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate (PubChem CID 122648168) has the molecular formula C24H20F4N2O4 and a molecular weight of 476.43 g/mol. Its IUPAC name is phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate
PubChem CID122648168
Molecular FormulaC24H20F4N2O4
Molecular Weight476.43 g/mol
Exact Mass476.14
IUPAC Namephenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate
SMILESCN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)Oc1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C24H20F4N2O4/c1-30(18-7-9-20(10-8-18)33-23(27)28)22(31)21(13-15-11-16(25)14-17(26)12-15)29-24(32)34-19-5-3-2-4-6-19/h2-12,14,21,23H,13H2,1H3,(H,29,32)/t21-/m0/s1
InChIKeyPDUWLZKMLWLTRL-NRFANRHFSA-N
XLogP4.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate
CID 134371554
phenyl N-[(2S)-1-(N-cyclopropyl-4-methoxyanilino)-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate;sulfane
CID 159426064
(2S)-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)-N-methyl-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 175228171
(2S)-2-[[2-[3-[2-[[(2S)-1-[4-(difluoromethoxy)-N-ethylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetyl]amino]-N-[4-(difluoromethoxy)phenyl]-3-(3,5-difluorophenyl)-N-ethylpropanamide
CID 122647589
tert-butyl N-[(2S)-3-(3,5-difluorophenyl)-1-(4-ethyl-N-methylanilino)-1-oxopropan-2-yl]carbamate;sulfane
CID 160783229
3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide
CID 118037987
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
(2S)-2-[[2-[4-chloro-3-[2-[[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetyl]amino]-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)-N-methylpropanamide
CID 122647111
(2S)-3-(3,5-difluorophenyl)-2-[[2-[3-[2-[[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-fluoro-2-oxobenzimidazol-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methylpropanamide
CID 122647106
tert-butyl N-[1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 42943863
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
CID 162471156

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate (CID 122648168) is phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate is CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)Oc1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is PDUWLZKMLWLTRL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20F4N2O4/c1-30(18-7-9-20(10-8-18)33-23(27)28)22(31)21(13-15-11-16(25)14-17(26)12-15)29-24(32)34-19-5-3-2-4-6-19/h2-12,14,21,23H,13H2,1H3,(H,29,32)/t21-/m0/s1.
What are the key properties of phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate?
phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 476.43 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-1-[4-(difluoromethoxy)-N-methylanilino]-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 122648168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).