1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea

C19H17ClF2N4O3 — CID 71087095

IUPAC1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea
SMILESN#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)c1
InChIInChI=1S/C19H17ClF2N4O3/c20-13-8-12(17-10-24-5-6-28-17)2-3-14(13)25-19(27)26-15-7-11(9-23)1-4-16(15)29-18(21)22/h1-4,7-8,17-18,24H,5-6,10H2,(H2,25,26,27)/t17-/m0/s1
InChIKeyBZPDPMRSUULMIB-KRWDZBQOSA-N
MW422.82 g/mol
LogP4.12
Rot. Bonds5

About 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea

1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea (PubChem CID 71087095) has the molecular formula C19H17ClF2N4O3 and a molecular weight of 422.82 g/mol. Its IUPAC name is 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea
PubChem CID71087095
Molecular FormulaC19H17ClF2N4O3
Molecular Weight422.82 g/mol
Exact Mass422.10
IUPAC Name1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea
SMILESN#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)c1
InChIInChI=1S/C19H17ClF2N4O3/c20-13-8-12(17-10-24-5-6-28-17)2-3-14(13)25-19(27)26-15-7-11(9-23)1-4-16(15)29-18(21)22/h1-4,7-8,17-18,24H,5-6,10H2,(H2,25,26,27)/t17-/m0/s1
InChIKeyBZPDPMRSUULMIB-KRWDZBQOSA-N
XLogP4.12
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.82
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-cyano-2-(difluoromethoxy)phenyl]-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea
CID 71087048
1-[2-bromo-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea
CID 71087087
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(3-cyanophenyl)urea
CID 71086658
(RS)-1-(2-chloro-4-(morpholin-2-yl)phenyl)-3-(3-cyanophenyl)urea
CID 71086659
(R)-1-(2-Chloro-4-(morpholin-2-yl)phenyl)-3-(3-cyanophenyl)urea
CID 71086793
1-(5-cyano-2-methoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea
CID 71086837
1-[5-cyano-2-(difluoromethoxy)phenyl]-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea
CID 71086840
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea
CID 71086857
1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea
CID 71086862
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea
CID 71086897
1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea
CID 71086926
1-(5-cyano-2-methoxyphenyl)-3-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]urea
CID 71086931

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea (CID 71087095) is 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea is N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)c1.
What is the InChIKey of 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea?
The InChIKey is BZPDPMRSUULMIB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17ClF2N4O3/c20-13-8-12(17-10-24-5-6-28-17)2-3-14(13)25-19(27)26-15-7-11(9-23)1-4-16(15)29-18(21)22/h1-4,7-8,17-18,24H,5-6,10H2,(H2,25,26,27)/t17-/m0/s1.
What are the key properties of 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea?
1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea has a molecular weight of 422.82 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-3-[5-cyano-2-(difluoromethoxy)phenyl]urea is sourced from PubChem (CID 71087095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).