2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

C11H13Cl2N3O2 — CID 18168720

IUPAC2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(N)=O
InChIInChI=1S/C11H13Cl2N3O2/c1-16(10(17)5-15-11(14)18)6-7-2-3-8(12)9(13)4-7/h2-4H,5-6H2,1H3,(H3,14,15,18)
InChIKeyBLYYHDXSXQRAHT-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.62
Rot. Bonds4

About 2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide

2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 18168720) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID18168720
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(N)=O
InChIInChI=1S/C11H13Cl2N3O2/c1-16(10(17)5-15-11(14)18)6-7-2-3-8(12)9(13)4-7/h2-4H,5-6H2,1H3,(H3,14,15,18)
InChIKeyBLYYHDXSXQRAHT-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorobenzyl)-4-isopropylpiperazine-1-carboxamide
CID 44418576
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 4879874
N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 2854245
N-(benzylcarbamoyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 2698772
3-[1-(3,4-dichlorophenyl)propyl]-N-methyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 44391215
3-[1-(3,4-dichlorophenyl)propyl]-4-N,5-N-dimethyl-2-sulfanylidene-1H-imidazole-4,5-dicarboxamide
CID 44391221
(S)-N-(3,4-dichlorobenzyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418542
N-(3,4-dichlorobenzyl)-4-cyclopentylpiperazine-1-carboxamide
CID 44418575
(4S)-N-[(2,3-dichlorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52943045
(4S)-N-[(2,3-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 52947925
2-(carbamoylamino)-N-[(4-chlorophenyl)methyl]-4-methylpentanamide
CID 5228616
(2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67458133

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide (CID 18168720) is 2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is BLYYHDXSXQRAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-16(10(17)5-15-11(14)18)6-7-2-3-8(12)9(13)4-7/h2-4H,5-6H2,1H3,(H3,14,15,18).
What are the key properties of 2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide?
2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 290.15 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 18168720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).