3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea

C20H24Cl2N4O2 — CID 17344296

IUPAC3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C20H24Cl2N4O2/c21-17-2-3-19(18(22)14-17)24-20(27)26(15-16-4-6-23-7-5-16)9-1-8-25-10-12-28-13-11-25/h2-7,14H,1,8-13,15H2,(H,24,27)
InChIKeyDZZNAMSRRCIMIZ-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.14
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea

3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea (PubChem CID 17344296) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
PubChem CID17344296
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC Name3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C20H24Cl2N4O2/c21-17-2-3-19(18(22)14-17)24-20(27)26(15-16-4-6-23-7-5-16)9-1-8-25-10-12-28-13-11-25/h2-7,14H,1,8-13,15H2,(H,24,27)
InChIKeyDZZNAMSRRCIMIZ-UHFFFAOYSA-N
XLogP4.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 42723877
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 23094990
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
3-(4-ethoxy-3-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 86974616
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 4184098
3-(2-chloro-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea
CID 5169082
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
2-[(2,4-dichlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4581836
1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 17042756
3-(2,3-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701220
1-[(4-tert-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 4110122

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea (CID 17344296) is 3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea is O=C(Nc1ccc(Cl)cc1Cl)N(CCCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea?
The InChIKey is DZZNAMSRRCIMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2/c21-17-2-3-19(18(22)14-17)24-20(27)26(15-16-4-6-23-7-5-16)9-1-8-25-10-12-28-13-11-25/h2-7,14H,1,8-13,15H2,(H,24,27).
What are the key properties of 3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea?
3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea has a molecular weight of 423.34 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 17344296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).