2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide

C18H20ClN3O2 — CID 169367330

IUPAC2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccccc2/N=C(/N)CCl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13-6-8-14(9-7-13)24-11-10-21-18(23)15-4-2-3-5-16(15)22-17(20)12-19/h2-9H,10-12H2,1H3,(H2,20,22)(H,21,23)
InChIKeyKUZKILIRFPSVDY-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.03
Rot. Bonds7

About 2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide

2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide (PubChem CID 169367330) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide
PubChem CID169367330
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccccc2/N=C(/N)CCl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13-6-8-14(9-7-13)24-11-10-21-18(23)15-4-2-3-5-16(15)22-17(20)12-19/h2-9H,10-12H2,1H3,(H2,20,22)(H,21,23)
InChIKeyKUZKILIRFPSVDY-UHFFFAOYSA-N
XLogP3.03
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 169325921
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
2-chloro-N-[2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]ethyl]benzamide;hydroiodide
CID 111277122
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
N-[2-[[N'-methyl-N-[2-(4-methylphenoxy)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111276599
N-[2-(4-chlorophenoxy)ethyl]-2-iodo-4-methylbenzamide
CID 100527523
2-[(1-amino-2-chloroethylidene)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 169369448
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide
CID 37362583
N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
CID 39384704
N'-(2-butoxyphenyl)-2-chloroethanimidamide
CID 169368773

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide (CID 169367330) is 2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OCCNC(=O)c2ccccc2/N=C(/N)CCl)cc1.
What is the InChIKey of 2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is KUZKILIRFPSVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13-6-8-14(9-7-13)24-11-10-21-18(23)15-4-2-3-5-16(15)22-17(20)12-19/h2-9H,10-12H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide?
2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 345.83 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 169367330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).