1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride

C17H19Cl2N3O2 — CID 67241922

IUPAC1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2.ClH/c18-14-3-1-2-4-15(14)21-17(22)20-13-7-5-12(6-8-13)16-11-19-9-10-23-16;/h1-8,16,19H,9-11H2,(H2,20,21,22);1H
InChIKeyTXBXEDPCWHTEDO-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.07
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride

1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride (PubChem CID 67241922) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
PubChem CID67241922
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CNCCO2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O2.ClH/c18-14-3-1-2-4-15(14)21-17(22)20-13-7-5-12(6-8-13)16-11-19-9-10-23-16;/h1-8,16,19H,9-11H2,(H2,20,21,22);1H
InChIKeyTXBXEDPCWHTEDO-UHFFFAOYSA-N
XLogP4.07
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
1-(6-chloro-2-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 87325728
3-(2-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087843
1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 67239601
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 71086894
N-(2,6-dichlorophenyl)-4-[(2S)-morpholin-2-yl]benzamide
CID 129387149
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)propan-2-one
CID 58315659
4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 67238948
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride (CID 67241922) is 1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride is Cl.O=C(Nc1ccc(C2CNCCO2)cc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride?
The InChIKey is TXBXEDPCWHTEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2.ClH/c18-14-3-1-2-4-15(14)21-17(22)20-13-7-5-12(6-8-13)16-11-19-9-10-23-16;/h1-8,16,19H,9-11H2,(H2,20,21,22);1H.
What are the key properties of 1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride?
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride has a molecular weight of 368.26 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride is sourced from PubChem (CID 67241922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).