N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide

C18H19Cl2N3O2 — CID 54358571

IUPACN-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
SMILESCN(C)C(=O)Nc1cccc(CC(=O)NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-23(2)18(25)22-13-6-3-5-12(9-13)10-17(24)21-11-14-15(19)7-4-8-16(14)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyUKWAJWQQVBKRFA-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.95
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide

N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide (PubChem CID 54358571) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
PubChem CID54358571
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
SMILESCN(C)C(=O)Nc1cccc(CC(=O)NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-23(2)18(25)22-13-6-3-5-12(9-13)10-17(24)21-11-14-15(19)7-4-8-16(14)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyUKWAJWQQVBKRFA-UHFFFAOYSA-N
XLogP3.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46424487
2-amino-5-chloro-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-4-fluorobenzamide
CID 167895809
N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524787
2-[3-(dimethylcarbamoylamino)phenyl]-N-(4-nitrophenyl)acetamide
CID 54274791
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide
CID 54255659
3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea
CID 129065693
1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea
CID 66941489
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide (CID 54358571) is N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide is CN(C)C(=O)Nc1cccc(CC(=O)NCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide?
The InChIKey is UKWAJWQQVBKRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-23(2)18(25)22-13-6-3-5-12(9-13)10-17(24)21-11-14-15(19)7-4-8-16(14)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide?
N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide has a molecular weight of 380.28 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 54358571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).