1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea

C17H18Cl2N2O3 — CID 55696349

IUPAC1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C17H18Cl2N2O3/c1-21(10-11-5-4-6-13(18)16(11)19)17(22)20-12-7-8-14(23-2)15(9-12)24-3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyWTSHAJFLBLOFRY-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.67
Rot. Bonds5

About 1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea

1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea (PubChem CID 55696349) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea
PubChem CID55696349
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C17H18Cl2N2O3/c1-21(10-11-5-4-6-13(18)16(11)19)17(22)20-12-7-8-14(23-2)15(9-12)24-3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyWTSHAJFLBLOFRY-UHFFFAOYSA-N
XLogP4.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 55819799
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
N-[2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 51118769
1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea
CID 55695253
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 38939923
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
3-(3-bromo-4-methylphenyl)-1-[(2-methoxyphenyl)methyl]-1-methylurea
CID 78874633
3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 86986903
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea
CID 112825322

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea (CID 55696349) is 1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea is COc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1OC.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea?
The InChIKey is WTSHAJFLBLOFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-21(10-11-5-4-6-13(18)16(11)19)17(22)20-12-7-8-14(23-2)15(9-12)24-3/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea?
1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea has a molecular weight of 369.25 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea is sourced from PubChem (CID 55696349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).