1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

C17H18Cl2N4O2 — CID 55697105

IUPAC1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H18Cl2N4O2/c18-13-8-14(19)10-15(9-13)22-17(24)21-11-12-1-2-20-16(7-12)23-3-5-25-6-4-23/h1-2,7-10H,3-6,11H2,(H2,21,22,24)
InChIKeyOVVPFUUCCVYHEE-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.55
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea

1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 55697105) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
PubChem CID55697105
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(N2CCOCC2)c1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H18Cl2N4O2/c18-13-8-14(19)10-15(9-13)22-17(24)21-11-12-1-2-20-16(7-12)23-3-5-25-6-4-23/h1-2,7-10H,3-6,11H2,(H2,21,22,24)
InChIKeyOVVPFUUCCVYHEE-UHFFFAOYSA-N
XLogP3.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
N-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745131
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
1-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846317
(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 94066498
1-(2-methyl-3-nitrophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 47032405
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55743484
1-[2-(2-bromophenyl)ethyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 48964032
4-(2,4-dichlorophenoxy)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585405
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea (CID 55697105) is 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is O=C(NCc1ccnc(N2CCOCC2)c1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is OVVPFUUCCVYHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c18-13-8-14(19)10-15(9-13)22-17(24)21-11-12-1-2-20-16(7-12)23-3-5-25-6-4-23/h1-2,7-10H,3-6,11H2,(H2,21,22,24).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea?
1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 381.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 55697105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).