1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea

C17H16Cl2N2O3 — CID 90535996

IUPAC1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
SMILESO=C(NCC1(O)CCOc2ccccc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c18-13-6-5-11(9-14(13)19)21-16(22)20-10-17(23)7-8-24-15-4-2-1-3-12(15)17/h1-6,9,23H,7-8,10H2,(H2,20,21,22)
InChIKeyLFPVLVCLWOEWFZ-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.79
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea

1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea (PubChem CID 90535996) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
PubChem CID90535996
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
SMILESO=C(NCC1(O)CCOc2ccccc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c18-13-6-5-11(9-14(13)19)21-16(22)20-10-17(23)7-8-24-15-4-2-1-3-12(15)17/h1-6,9,23H,7-8,10H2,(H2,20,21,22)
InChIKeyLFPVLVCLWOEWFZ-UHFFFAOYSA-N
XLogP3.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
CID 90535754
1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea
CID 90535975
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
1-(3,4-dichlorophenyl)-3-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]urea
CID 97107626
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673
1-(2,3-dimethoxyphenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535991
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
1-(1,3-benzodioxol-5-yl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 71782217
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 71788968
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea (CID 90535996) is 1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea is O=C(NCC1(O)CCOc2ccccc21)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea?
The InChIKey is LFPVLVCLWOEWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-13-6-5-11(9-14(13)19)21-16(22)20-10-17(23)7-8-24-15-4-2-1-3-12(15)17/h1-6,9,23H,7-8,10H2,(H2,20,21,22).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea?
1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea has a molecular weight of 367.23 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea is sourced from PubChem (CID 90535996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).