N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide

C11H13ClN4O2 — CID 146217354

IUPACN-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide
SMILES[H]/N=C(\N)N(/N=C/c1c(Cl)cccc1OC)C(C)=O
InChIInChI=1S/C11H13ClN4O2/c1-7(17)16(11(13)14)15-6-8-9(12)4-3-5-10(8)18-2/h3-6H,1-2H3,(H3,13,14)/b15-6+
InChIKeyVVPJRSRRPSSWGK-GIDUJCDVSA-N
MW268.70 g/mol
LogP1.42
Rot. Bonds3

About N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide

N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide (PubChem CID 146217354) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide
PubChem CID146217354
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC NameN-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide
SMILES[H]/N=C(\N)N(/N=C/c1c(Cl)cccc1OC)C(C)=O
InChIInChI=1S/C11H13ClN4O2/c1-7(17)16(11(13)14)15-6-8-9(12)4-3-5-10(8)18-2/h3-6H,1-2H3,(H3,13,14)/b15-6+
InChIKeyVVPJRSRRPSSWGK-GIDUJCDVSA-N
XLogP1.42
TPSA91.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-carbamimidoyl-N-[(E)-[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 146217334
N-carbamimidoyl-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide
CID 146217343
N-carbamimidoyl-N-(2,6-dichlorophenyl)acetamide
CID 21413966
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
[3-chloro-2-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] acetate
CID 146217397
methyl (E)-3-(2-chloro-6-methoxyphenyl)prop-2-enoate
CID 13045462
acetic acid;2-[(2-chloro-6-methylphenyl)methylideneamino]ethanimidamide
CID 158239944
S-[[(E)-(2,6-dichlorophenyl)methylideneamino]-methylamino] carbamothioate
CID 175215501
(E)-3-(2-chloro-6-methoxyphenyl)-2-fluoroprop-2-enoic acid
CID 104816692
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
S-[3-(2-chloro-6-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169458402
2-(3-chloro-2-methoxyphenyl)ethanimidamide
CID 83676619

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide (CID 146217354) is N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide is [H]/N=C(\N)N(/N=C/c1c(Cl)cccc1OC)C(C)=O.
What is the InChIKey of N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is VVPJRSRRPSSWGK-GIDUJCDVSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-7(17)16(11(13)14)15-6-8-9(12)4-3-5-10(8)18-2/h3-6H,1-2H3,(H3,13,14)/b15-6+.
What are the key properties of N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide?
N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 268.70 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-[(E)-(2-chloro-6-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 146217354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).