2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide

C15H23ClN4O — CID 111123905

IUPAC2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1Cl)NC(C)C
InChIInChI=1S/C15H23ClN4O/c1-4-17-15(20-11(2)3)19-10-9-18-14(21)12-7-5-6-8-13(12)16/h5-8,11H,4,9-10H2,1-3H3,(H,18,21)(H2,17,19,20)
InChIKeyFHGIWDLCCDOZMU-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.03
Rot. Bonds6

About 2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide

2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide (PubChem CID 111123905) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide
PubChem CID111123905
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide
SMILESCCN/C(=N\CCNC(=O)c1ccccc1Cl)NC(C)C
InChIInChI=1S/C15H23ClN4O/c1-4-17-15(20-11(2)3)19-10-9-18-14(21)12-7-5-6-8-13(12)16/h5-8,11H,4,9-10H2,1-3H3,(H,18,21)(H2,17,19,20)
InChIKeyFHGIWDLCCDOZMU-UHFFFAOYSA-N
XLogP2.03
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.03
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

2-chloro-N-[2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]ethyl]benzamide
CID 110999053
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 110946152
2-[2-(2-chlorophenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127093
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111235368
2-chloro-N-[2-[[N'-[2-(2-chlorophenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111882398
2-chloro-N-[2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]ethyl]benzamide;hydroiodide
CID 111277122
N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111125900
2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
CID 110918726
N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111125636
2-chloro-N-[2-[[N-ethyl-N'-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111704062
2-chloro-N-[2-[[ethylamino-[(3-ethylsulfinylcyclohexyl)amino]methylidene]amino]ethyl]benzamide;hydroiodide
CID 109438672
2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide
CID 8750671

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide (CID 111123905) is 2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide is CCN/C(=N\CCNC(=O)c1ccccc1Cl)NC(C)C.
What is the InChIKey of 2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide?
The InChIKey is FHGIWDLCCDOZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-4-17-15(20-11(2)3)19-10-9-18-14(21)12-7-5-6-8-13(12)16/h5-8,11H,4,9-10H2,1-3H3,(H,18,21)(H2,17,19,20).
What are the key properties of 2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide?
2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide has a molecular weight of 310.83 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[ethylamino-(propan-2-ylamino)methylidene]amino]ethyl]benzamide is sourced from PubChem (CID 111123905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).