N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide

C12H16ClN3O2 — CID 119278708

IUPACN-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
SMILESCC(N)C(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-8(14)11(17)15-6-7-16-12(18)9-4-2-3-5-10(9)13/h2-5,8H,6-7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyHZKHBZWVCAXQST-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.53
Rot. Bonds5

About N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide

N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide (PubChem CID 119278708) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
PubChem CID119278708
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide
SMILESCC(N)C(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-8(14)11(17)15-6-7-16-12(18)9-4-2-3-5-10(9)13/h2-5,8H,6-7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyHZKHBZWVCAXQST-UHFFFAOYSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
CID 119703576
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-chloro-N-[2-[[N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111043273
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
4-[(2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832377
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide (CID 119278708) is N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide is CC(N)C(=O)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide?
The InChIKey is HZKHBZWVCAXQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8(14)11(17)15-6-7-16-12(18)9-4-2-3-5-10(9)13/h2-5,8H,6-7,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide?
N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide has a molecular weight of 269.73 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopropanoylamino)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 119278708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).