1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea

C14H20ClN3O2 — CID 3579443

IUPAC1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc(NC(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-11-2-3-12(10-13(11)15)17-14(19)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,19)
InChIKeySMKRBHCBINQMBX-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.10
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea

1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 3579443) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID3579443
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc(NC(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-11-2-3-12(10-13(11)15)17-14(19)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,19)
InChIKeySMKRBHCBINQMBX-UHFFFAOYSA-N
XLogP2.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 22932427
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110305506
1-(7-chloro-2-ethyl-3-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 118789628
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 78929604
1-(3-chloro-4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430349
5-[(3-chloro-4-methylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42660039
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 108873272
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
6-(3-chloro-4-methylanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115731
1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
CID 158422773

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea (CID 3579443) is 1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea is Cc1ccc(NC(=O)NCCN2CCOCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is SMKRBHCBINQMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-11-2-3-12(10-13(11)15)17-14(19)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea?
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 297.79 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 3579443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).