2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide

C19H22ClN3O2 — CID 119039955

IUPAC2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide
SMILESCC(C)C(C(=O)NCCNC(=O)c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C19H22ClN3O2/c1-13(2)17(16-9-5-6-10-21-16)19(25)23-12-11-22-18(24)14-7-3-4-8-15(14)20/h3-10,13,17H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUHHSEMBOCQSPJB-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.02
Rot. Bonds7

About 2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide

2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide (PubChem CID 119039955) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide
PubChem CID119039955
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide
SMILESCC(C)C(C(=O)NCCNC(=O)c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C19H22ClN3O2/c1-13(2)17(16-9-5-6-10-21-16)19(25)23-12-11-22-18(24)14-7-3-4-8-15(14)20/h3-10,13,17H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUHHSEMBOCQSPJB-UHFFFAOYSA-N
XLogP3.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.02
H-Bond Donors ≤ 52
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-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
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2-chloro-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]benzamide
CID 74766924
2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
CID 119703576
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47049468
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
N-[2-[[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]amino]ethyl]-2-chlorobenzamide
CID 55659461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide (CID 119039955) is 2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide is CC(C)C(C(=O)NCCNC(=O)c1ccccc1Cl)c1ccccn1.
What is the InChIKey of 2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide?
The InChIKey is UHHSEMBOCQSPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13(2)17(16-9-5-6-10-21-16)19(25)23-12-11-22-18(24)14-7-3-4-8-15(14)20/h3-10,13,17H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide?
2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide has a molecular weight of 359.86 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]ethyl]benzamide is sourced from PubChem (CID 119039955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).