2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide

C19H23ClN4O — CID 111358334

IUPAC2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-2-21-19(22-12-11-15-7-6-8-16(20)13-15)23-14-18(25)24-17-9-4-3-5-10-17/h3-10,13H,2,11-12,14H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyRESBFEVSZLNXPO-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.08
Rot. Bonds7

About 2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide

2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide (PubChem CID 111358334) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide
PubChem CID111358334
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O/c1-2-21-19(22-12-11-15-7-6-8-16(20)13-15)23-14-18(25)24-17-9-4-3-5-10-17/h3-10,13H,2,11-12,14H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyRESBFEVSZLNXPO-UHFFFAOYSA-N
XLogP3.08
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.08
H-Bond Donors ≤ 53
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-(3,4-diethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 111246151
2-[bis(ethylamino)methylideneamino]-N-(2-phenylethyl)acetamide
CID 110930238
2-[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111196132
2-[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111362406
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111357730
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110977936
N-[3-[[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111196932
2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 109473614
2-[[ethylamino-[2-(3-fluorophenyl)ethylamino]methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111395273
2-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111354256
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
2-[[ethylamino-[(3-hydroxy-3-phenylpropyl)amino]methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111665507

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide?
The IUPAC name of 2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide (CID 111358334) is 2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide is CCN/C(=N\CC(=O)Nc1ccccc1)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide?
The InChIKey is RESBFEVSZLNXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-2-21-19(22-12-11-15-7-6-8-16(20)13-15)23-14-18(25)24-17-9-4-3-5-10-17/h3-10,13H,2,11-12,14H2,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of 2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide?
2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide has a molecular weight of 358.87 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(3-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-phenylacetamide is sourced from PubChem (CID 111358334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).