1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea

C15H20Cl2N2O4 — CID 133266871

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea
SMILESO=C(NCc1ccc(Cl)cc1Cl)N[C@H]1COCC[C@H]1OCCO
InChIInChI=1S/C15H20Cl2N2O4/c16-11-2-1-10(12(17)7-11)8-18-15(21)19-13-9-22-5-3-14(13)23-6-4-20/h1-2,7,13-14,20H,3-6,8-9H2,(H2,18,19,21)/t13-,14+/m0/s1
InChIKeyOKOQRTCXTXDNEC-UONOGXRCSA-N
MW363.24 g/mol
LogP1.96
Rot. Bonds6

About 1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea

1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea (PubChem CID 133266871) has the molecular formula C15H20Cl2N2O4 and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea
PubChem CID133266871
Molecular FormulaC15H20Cl2N2O4
Molecular Weight363.24 g/mol
Exact Mass362.08
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea
SMILESO=C(NCc1ccc(Cl)cc1Cl)N[C@H]1COCC[C@H]1OCCO
InChIInChI=1S/C15H20Cl2N2O4/c16-11-2-1-10(12(17)7-11)8-18-15(21)19-13-9-22-5-3-14(13)23-6-4-20/h1-2,7,13-14,20H,3-6,8-9H2,(H2,18,19,21)/t13-,14+/m0/s1
InChIKeyOKOQRTCXTXDNEC-UONOGXRCSA-N
XLogP1.96
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91769238
2-[(3R,4S)-3-[(3-fluorophenyl)methylcarbamoylamino]oxan-4-yl]oxyacetic acid
CID 91772905
2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783069
2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide
CID 133265962
N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide
CID 91789098
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
CID 111197454
1-[(2,4-dichlorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51117380
2-[(3R,4S)-3-[(2-chloro-4,5-difluorobenzoyl)amino]oxan-4-yl]oxyacetic acid
CID 91779623
2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide
CID 90650186
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 91761241
N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 91785949
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea (CID 133266871) is 1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea is O=C(NCc1ccc(Cl)cc1Cl)N[C@H]1COCC[C@H]1OCCO.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea?
The InChIKey is OKOQRTCXTXDNEC-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4/c16-11-2-1-10(12(17)7-11)8-18-15(21)19-13-9-22-5-3-14(13)23-6-4-20/h1-2,7,13-14,20H,3-6,8-9H2,(H2,18,19,21)/t13-,14+/m0/s1.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea?
1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea has a molecular weight of 363.24 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]urea is sourced from PubChem (CID 133266871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).