1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea

C18H17ClN4O2 — CID 71086793

IUPAC1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)c1
InChIInChI=1S/C18H17ClN4O2/c19-15-9-13(17-11-21-6-7-25-17)4-5-16(15)23-18(24)22-14-3-1-2-12(8-14)10-20/h1-5,8-9,17,21H,6-7,11H2,(H2,22,23,24)/t17-/m0/s1
InChIKeyZKAZLEUHOVSETO-KRWDZBQOSA-N
MW356.81 g/mol
LogP3.52
Rot. Bonds3

About 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea

1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea (PubChem CID 71086793) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea
PubChem CID71086793
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)c1
InChIInChI=1S/C18H17ClN4O2/c19-15-9-13(17-11-21-6-7-25-17)4-5-16(15)23-18(24)22-14-3-1-2-12(8-14)10-20/h1-5,8-9,17,21H,6-7,11H2,(H2,22,23,24)/t17-/m0/s1
InChIKeyZKAZLEUHOVSETO-KRWDZBQOSA-N
XLogP3.52
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea?
The IUPAC name of 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea (CID 71086793) is 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea is N#Cc1cccc(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)c1.
What is the InChIKey of 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea?
The InChIKey is ZKAZLEUHOVSETO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-15-9-13(17-11-21-6-7-25-17)4-5-16(15)23-18(24)22-14-3-1-2-12(8-14)10-20/h1-5,8-9,17,21H,6-7,11H2,(H2,22,23,24)/t17-/m0/s1.
What are the key properties of 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea?
1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea has a molecular weight of 356.81 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea is sourced from PubChem (CID 71086793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).