N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide

C19H22ClN3O2 — CID 54809138

IUPACN-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-2-3-11-21-19(25)14-7-9-16(10-8-14)23-18(24)13-22-17-6-4-5-15(20)12-17/h4-10,12,22H,2-3,11,13H2,1H3,(H,21,25)(H,23,24)
InChIKeyIVWHTZZQVXJPJF-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.92
Rot. Bonds8

About N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide

N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide (PubChem CID 54809138) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
PubChem CID54809138
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClN3O2/c1-2-3-11-21-19(25)14-7-9-16(10-8-14)23-18(24)13-22-17-6-4-5-15(20)12-17/h4-10,12,22H,2-3,11,13H2,1H3,(H,21,25)(H,23,24)
InChIKeyIVWHTZZQVXJPJF-UHFFFAOYSA-N
XLogP3.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.92
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

4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54833570
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54833854
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide (CID 54809138) is N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1.
What is the InChIKey of N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide?
The InChIKey is IVWHTZZQVXJPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-2-3-11-21-19(25)14-7-9-16(10-8-14)23-18(24)13-22-17-6-4-5-15(20)12-17/h4-10,12,22H,2-3,11,13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide?
N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide has a molecular weight of 359.86 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54809138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).