N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide

C18H21ClN4O — CID 111042970

IUPACN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
SMILESCCc1ccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN4O/c1-2-13-3-9-16(10-4-13)23-18(20)22-12-11-21-17(24)14-5-7-15(19)8-6-14/h3-10H,2,11-12H2,1H3,(H,21,24)(H3,20,22,23)
InChIKeyDAVIZTJDBKSIAY-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.06
Rot. Bonds6

About N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide

N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide (PubChem CID 111042970) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
PubChem CID111042970
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
SMILESCCc1ccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN4O/c1-2-13-3-9-16(10-4-13)23-18(20)22-12-11-21-17(24)14-5-7-15(19)8-6-14/h3-10H,2,11-12H2,1H3,(H,21,24)(H3,20,22,23)
InChIKeyDAVIZTJDBKSIAY-UHFFFAOYSA-N
XLogP3.06
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042989
4-[[[amino-(4-ethylanilino)methylidene]amino]methyl]-N-butylbenzamide
CID 111070804
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042938
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042937
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042802
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055784
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-chlorobenzamide
CID 138994545
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 110925367
3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
CID 111077891
N-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]-4-bromobenzamide;hydroiodide
CID 111075534

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide (CID 111042970) is N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide is CCc1ccc(N/C(N)=N/CCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide?
The InChIKey is DAVIZTJDBKSIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-2-13-3-9-16(10-4-13)23-18(20)22-12-11-21-17(24)14-5-7-15(19)8-6-14/h3-10H,2,11-12H2,1H3,(H,21,24)(H3,20,22,23).
What are the key properties of N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide?
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide has a molecular weight of 344.85 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide is sourced from PubChem (CID 111042970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).