2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide

C17H17Cl2N3O3 — CID 47032016

IUPAC2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O3/c1-10-3-6-15(25-2)14(7-10)21-16(23)9-20-17(24)22-13-5-4-11(18)8-12(13)19/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyILCBYPNQNDVDRF-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.07
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 47032016) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID47032016
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O3/c1-10-3-6-15(25-2)14(7-10)21-16(23)9-20-17(24)22-13-5-4-11(18)8-12(13)19/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyILCBYPNQNDVDRF-UHFFFAOYSA-N
XLogP4.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
2-(4-chloro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507206
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
2-(4-bromo-2-chloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 33169745
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 2516960
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
N-(2-methoxy-5-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275215
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973750
N-(2,4-dichlorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8997117
2-(benzylcarbamoylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 24559532

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 47032016) is 2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is ILCBYPNQNDVDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-10-3-6-15(25-2)14(7-10)21-16(23)9-20-17(24)22-13-5-4-11(18)8-12(13)19/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 382.25 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 47032016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).