2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide

C14H11Cl3N4O — CID 127024523

IUPAC2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)N/N=C/c1c(Cl)cncc1Cl
InChIInChI=1S/C14H11Cl3N4O/c15-9-2-1-3-10(4-9)19-8-14(22)21-20-5-11-12(16)6-18-7-13(11)17/h1-7,19H,8H2,(H,21,22)/b20-5+
InChIKeySGPKBJQYKUQGKV-DENHBWNVSA-N
MW357.63 g/mol
LogP3.60
Rot. Bonds5

About 2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide

2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide (PubChem CID 127024523) has the molecular formula C14H11Cl3N4O and a molecular weight of 357.63 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide
PubChem CID127024523
Molecular FormulaC14H11Cl3N4O
Molecular Weight357.63 g/mol
Exact Mass356.00
IUPAC Name2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)N/N=C/c1c(Cl)cncc1Cl
InChIInChI=1S/C14H11Cl3N4O/c15-9-2-1-3-10(4-9)19-8-14(22)21-20-5-11-12(16)6-18-7-13(11)17/h1-7,19H,8H2,(H,21,22)/b20-5+
InChIKeySGPKBJQYKUQGKV-DENHBWNVSA-N
XLogP3.60
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloroanilino)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 4616989
2-(3-chloroanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 5143452
3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 73226716
2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
CID 19617349
2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135533730
1-(3-chlorophenyl)-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]urea
CID 110536315
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-chloroanilino)acetamide
CID 136697648
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353624
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5435233
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide (CID 127024523) is 2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide is O=C(CNc1cccc(Cl)c1)N/N=C/c1c(Cl)cncc1Cl.
What is the InChIKey of 2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide?
The InChIKey is SGPKBJQYKUQGKV-DENHBWNVSA-N. The full InChI is InChI=1S/C14H11Cl3N4O/c15-9-2-1-3-10(4-9)19-8-14(22)21-20-5-11-12(16)6-18-7-13(11)17/h1-7,19H,8H2,(H,21,22)/b20-5+.
What are the key properties of 2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide?
2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide has a molecular weight of 357.63 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[(E)-(3,5-dichloro-4-pyridinyl)methylideneamino]acetamide is sourced from PubChem (CID 127024523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).