4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide

C20H23ClN4O — CID 67613976

IUPAC4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide
SMILESN/C(=N\c1ccc(C(=O)NCCc2ccccc2Cl)cc1)N1CCCC1
InChIInChI=1S/C20H23ClN4O/c21-18-6-2-1-5-15(18)11-12-23-19(26)16-7-9-17(10-8-16)24-20(22)25-13-3-4-14-25/h1-2,5-10H,3-4,11-14H2,(H2,22,24)(H,23,26)
InChIKeyKHGQFTDEMCFLKB-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.35
Rot. Bonds5

About 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide

4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide (PubChem CID 67613976) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide
PubChem CID67613976
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide
SMILESN/C(=N\c1ccc(C(=O)NCCc2ccccc2Cl)cc1)N1CCCC1
InChIInChI=1S/C20H23ClN4O/c21-18-6-2-1-5-15(18)11-12-23-19(26)16-7-9-17(10-8-16)24-20(22)25-13-3-4-14-25/h1-2,5-10H,3-4,11-14H2,(H2,22,24)(H,23,26)
InChIKeyKHGQFTDEMCFLKB-UHFFFAOYSA-N
XLogP3.35
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride
CID 67597658
N-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethynyl)benzamide
CID 25126325
4-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]benzamide
CID 109047312
N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055830
N'-[3-(2-chlorophenyl)propyl]piperidine-1-carboximidamide
CID 111806874
4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56548908
N-[2-(2-chlorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 11608789
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 46773354
N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-4-bromobenzamide
CID 111094043
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847

Frequently Asked Questions

What is the IUPAC name of 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide?
The IUPAC name of 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide (CID 67613976) is 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide is N/C(=N\c1ccc(C(=O)NCCc2ccccc2Cl)cc1)N1CCCC1.
What is the InChIKey of 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide?
The InChIKey is KHGQFTDEMCFLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-18-6-2-1-5-15(18)11-12-23-19(26)16-7-9-17(10-8-16)24-20(22)25-13-3-4-14-25/h1-2,5-10H,3-4,11-14H2,(H2,22,24)(H,23,26).
What are the key properties of 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide?
4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide has a molecular weight of 370.88 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-[2-(2-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 67613976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).