2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide

C14H20ClN3O2 — CID 119504443

IUPAC2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
SMILESCNCCNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-9(2)13(19)18-10-4-5-12(15)11(8-10)14(20)17-7-6-16-3/h4-5,8-9,16H,6-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySOBNLJZMXPBTNG-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.88
Rot. Bonds6

About 2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide

2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide (PubChem CID 119504443) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
PubChem CID119504443
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
SMILESCNCCNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-9(2)13(19)18-10-4-5-12(15)11(8-10)14(20)17-7-6-16-3/h4-5,8-9,16H,6-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySOBNLJZMXPBTNG-UHFFFAOYSA-N
XLogP1.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.88
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

2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide
CID 111483491
2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide
CID 119430523
N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 111459554
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119609082
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
5-[[[2-chloro-5-(2-methylpropanoylamino)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226496
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of 2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide (CID 119504443) is 2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide is CNCCNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide?
The InChIKey is SOBNLJZMXPBTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(2)13(19)18-10-4-5-12(15)11(8-10)14(20)17-7-6-16-3/h4-5,8-9,16H,6-7H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide?
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide has a molecular weight of 297.79 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 119504443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).