2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide

C15H22ClN3O2 — CID 60928255

IUPAC2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide
SMILESCNC(=O)c1cc(NC(=O)CCCNC(C)C)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10(2)18-8-4-5-14(20)19-11-6-7-13(16)12(9-11)15(21)17-3/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOCSIYVWEWWNEAQ-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.42
Rot. Bonds7

About 2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide

2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide (PubChem CID 60928255) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide
PubChem CID60928255
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide
SMILESCNC(=O)c1cc(NC(=O)CCCNC(C)C)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10(2)18-8-4-5-14(20)19-11-6-7-13(16)12(9-11)15(21)17-3/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOCSIYVWEWWNEAQ-UHFFFAOYSA-N
XLogP2.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.42
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-5-(5-hydroxypentanoylamino)-N-methylbenzamide
CID 79198792
2-chloro-5-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 60854719
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
CID 62835283
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
5-[4-chloro-3-(methylcarbamoyl)anilino]-3-methyl-5-oxopentanoic acid
CID 62965912
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-5-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55991884
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
CID 119299938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide (CID 60928255) is 2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide is CNC(=O)c1cc(NC(=O)CCCNC(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide?
The InChIKey is OCSIYVWEWWNEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(2)18-8-4-5-14(20)19-11-6-7-13(16)12(9-11)15(21)17-3/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide?
2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide has a molecular weight of 311.81 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide is sourced from PubChem (CID 60928255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).