1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea

C19H21ClFN3O2 — CID 30834737

IUPAC1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O2/c20-15-2-1-3-17(12-15)23-19(25)22-13-18(24-8-10-26-11-9-24)14-4-6-16(21)7-5-14/h1-7,12,18H,8-11,13H2,(H2,22,23,25)/t18-/m1/s1
InChIKeyDPKXQEADCOMYHR-GOSISDBHSA-N
MW377.85 g/mol
LogP3.67
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea

1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea (PubChem CID 30834737) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
PubChem CID30834737
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O2/c20-15-2-1-3-17(12-15)23-19(25)22-13-18(24-8-10-26-11-9-24)14-4-6-16(21)7-5-14/h1-7,12,18H,8-11,13H2,(H2,22,23,25)/t18-/m1/s1
InChIKeyDPKXQEADCOMYHR-GOSISDBHSA-N
XLogP3.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 18589035
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51334262
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
1-(3-chlorophenyl)-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30089001
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
1-(3-chlorophenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]urea
CID 7496603
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 42928186
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenylcarbamoylamino)propanamide
CID 112793827
3-(2,4-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 55574928
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N'-(3-chlorophenyl)oxamide
CID 29095125
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea (CID 30834737) is 1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea is O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
The InChIKey is DPKXQEADCOMYHR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c20-15-2-1-3-17(12-15)23-19(25)22-13-18(24-8-10-26-11-9-24)14-4-6-16(21)7-5-14/h1-7,12,18H,8-11,13H2,(H2,22,23,25)/t18-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea?
1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea has a molecular weight of 377.85 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 30834737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).