2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide

C15H13Cl2N3O — CID 135405955

IUPAC2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide
SMILESN/C(=N\c1ccccc1)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2N3O/c16-12-7-4-8-13(17)11(12)9-14(21)20-15(18)19-10-5-2-1-3-6-10/h1-8H,9H2,(H3,18,19,20,21)
InChIKeyPTLGNWQVGPFQBM-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.30
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide

2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide (PubChem CID 135405955) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide
PubChem CID135405955
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.19 g/mol
Exact Mass321.04
IUPAC Name2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide
SMILESN/C(=N\c1ccccc1)NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2N3O/c16-12-7-4-8-13(17)11(12)9-14(21)20-15(18)19-10-5-2-1-3-6-10/h1-8H,9H2,(H3,18,19,20,21)
InChIKeyPTLGNWQVGPFQBM-UHFFFAOYSA-N
XLogP3.30
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide
CID 135493715
2-(2-chloro-6-methylphenyl)-N-(N'-ethylcarbamimidoyl)acetamide
CID 54505860
2-phenyl-N-[N'-(4-propan-2-ylphenyl)carbamimidoyl]acetamide
CID 135568517
(2S)-2-amino-10-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-5,10-dioxodecanoic acid
CID 58193243
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-phenylacetamide
CID 51289820
N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
CID 171391513
(2S)-2-[[5-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-3,3-dimethyl-5-oxopentanoyl]amino]-3-methylbutanoic acid
CID 58193215
4-(diaminomethyl)-N-[2-(2,6-dichlorophenyl)acetyl]benzamide
CID 21056391
(2R,5R)-5-amino-2-[3-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-3-oxopropyl]-4-oxohexanoic acid
CID 58193311
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
3-[[2-(2,6-dichlorophenyl)acetyl]amino]butanoic acid
CID 43092444
(2R,5R)-5-amino-2-[3-[[amino-[[2-(2,6-dichlorophenyl)acetyl]amino]methylidene]amino]-3-oxopropyl]-6-methyl-4-oxoheptanoic acid
CID 58193331

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide (CID 135405955) is 2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide is N/C(=N\c1ccccc1)NC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide?
The InChIKey is PTLGNWQVGPFQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-12-7-4-8-13(17)11(12)9-14(21)20-15(18)19-10-5-2-1-3-6-10/h1-8H,9H2,(H3,18,19,20,21).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide?
2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide has a molecular weight of 322.19 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(N'-phenylcarbamimidoyl)acetamide is sourced from PubChem (CID 135405955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).