pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate

C23H20Cl2N4O4 — CID 91110052

IUPACpyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate
SMILESCC(NC(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Oc2ccccc2Cl)cc1Cl
InChIInChI=1S/C23H20Cl2N4O4/c1-14(17-7-6-15(10-19(17)25)32-20-5-3-2-4-18(20)24)28-21(30)23(8-9-23)29-22(31)33-16-11-26-13-27-12-16/h2-7,10-14H,8-9H2,1H3,(H,28,30)(H,29,31)
InChIKeyIRVRZNYUWBGUPG-UHFFFAOYSA-N
MW487.34 g/mol
LogP5.07
Rot. Bonds7

About pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate

pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate (PubChem CID 91110052) has the molecular formula C23H20Cl2N4O4 and a molecular weight of 487.34 g/mol. Its IUPAC name is pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate.

Molecular Properties

Compound Namepyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate
PubChem CID91110052
Molecular FormulaC23H20Cl2N4O4
Molecular Weight487.34 g/mol
Exact Mass486.09
IUPAC Namepyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate
SMILESCC(NC(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Oc2ccccc2Cl)cc1Cl
InChIInChI=1S/C23H20Cl2N4O4/c1-14(17-7-6-15(10-19(17)25)32-20-5-3-2-4-18(20)24)28-21(30)23(8-9-23)29-22(31)33-16-11-26-13-27-12-16/h2-7,10-14H,8-9H2,1H3,(H,28,30)(H,29,31)
InChIKeyIRVRZNYUWBGUPG-UHFFFAOYSA-N
XLogP5.07
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.34
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate
CID 91338734
N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854518
pyrimidin-5-yl N-[1-[[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 68759527
pyrimidin-5-yl N-[1-[1-[5-[4-chloro-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]ethylcarbamoyl]cyclopropyl]carbamate
CID 77153886
pyrimidin-5-yl N-[1-acetyl-3-[[2-chloro-4-(2-chloro-4-methoxyphenoxy)phenyl]methylcarbamoyl]pyrrolidin-3-yl]carbamate
CID 67534114
5-(2-chlorophenoxy)pyrimidine
CID 117231306
N-[1-[[4-(2,4-dichlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25233474
phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
CID 81378918
N-[1-[[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854591
N-[1-[[4-[4-(1-hydroxyethyl)-3-methoxyphenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 66792559
N-[1-[[4-(4-bromo-2-chlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 58487821
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate?
The IUPAC name of pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate (CID 91110052) is pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate.
What is the SMILES notation for pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate?
The canonical SMILES for pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate is CC(NC(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Oc2ccccc2Cl)cc1Cl.
What is the InChIKey of pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate?
The InChIKey is IRVRZNYUWBGUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O4/c1-14(17-7-6-15(10-19(17)25)32-20-5-3-2-4-18(20)24)28-21(30)23(8-9-23)29-22(31)33-16-11-26-13-27-12-16/h2-7,10-14H,8-9H2,1H3,(H,28,30)(H,29,31).
What are the key properties of pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate?
pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate has a molecular weight of 487.34 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 91110052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).