2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide

C14H20ClN3O2 — CID 119703576

IUPAC2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
SMILESCNCC(C)C(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-10(9-16-2)13(19)17-7-8-18-14(20)11-5-3-4-6-12(11)15/h3-6,10,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBMWZKKAUEDMGGE-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.04
Rot. Bonds7

About 2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide

2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide (PubChem CID 119703576) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
PubChem CID119703576
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
SMILESCNCC(C)C(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-10(9-16-2)13(19)17-7-8-18-14(20)11-5-3-4-6-12(11)15/h3-6,10,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBMWZKKAUEDMGGE-UHFFFAOYSA-N
XLogP1.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.04
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-chlorobenzamide
CID 119278708
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
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
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-chloro-N-[5-(2-methylpropylamino)-5-oxopentyl]benzamide
CID 153096273
2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide
CID 119039955
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide (CID 119703576) is 2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide is CNCC(C)C(=O)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide?
The InChIKey is BMWZKKAUEDMGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10(9-16-2)13(19)17-7-8-18-14(20)11-5-3-4-6-12(11)15/h3-6,10,16H,7-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide has a molecular weight of 297.79 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide is sourced from PubChem (CID 119703576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).