N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide

C17H17Cl2N3O3 — CID 55697658

IUPACN-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O3/c1-25-10-16(23)21-13-4-6-14(7-5-13)22-17(24)20-9-11-2-3-12(18)8-15(11)19/h2-8H,9-10H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyBCJYIWCSWLMTEW-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.90
Rot. Bonds6

About N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide

N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide (PubChem CID 55697658) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide
PubChem CID55697658
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC NameN-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2N3O3/c1-25-10-16(23)21-13-4-6-14(7-5-13)22-17(24)20-9-11-2-3-12(18)8-15(11)19/h2-8H,9-10H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyBCJYIWCSWLMTEW-UHFFFAOYSA-N
XLogP3.90
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 55567336
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
2-methoxy-N-[4-[[4-(methoxymethyl)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 55697500
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8609899
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
CID 47020457
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide (CID 55697658) is N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide?
The InChIKey is BCJYIWCSWLMTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-25-10-16(23)21-13-4-6-14(7-5-13)22-17(24)20-9-11-2-3-12(18)8-15(11)19/h2-8H,9-10H2,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide?
N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide has a molecular weight of 382.25 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dichlorophenyl)methylcarbamoylamino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 55697658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).