N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C26H26ClN3O3 — CID 55945210

IUPACN-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H26ClN3O3/c27-21-13-15-22(16-14-21)29-24(31)12-7-17-28-26(33)23(18-19-8-3-1-4-9-19)30-25(32)20-10-5-2-6-11-20/h1-6,8-11,13-16,23H,7,12,17-18H2,(H,28,33)(H,29,31)(H,30,32)
InChIKeyUIVWDTDBXBNMCU-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.22
Rot. Bonds10

About N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 55945210) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID55945210
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC NameN-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H26ClN3O3/c27-21-13-15-22(16-14-21)29-24(31)12-7-17-28-26(33)23(18-19-8-3-1-4-9-19)30-25(32)20-10-5-2-6-11-20/h1-6,8-11,13-16,23H,7,12,17-18H2,(H,28,33)(H,29,31)(H,30,32)
InChIKeyUIVWDTDBXBNMCU-UHFFFAOYSA-N
XLogP4.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.22
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-chloro-N-[1-[4-[3-(dimethylamino)propanoylamino]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 146125938
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide
CID 4882562
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4001085
N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55461044
N-[2-[[2-(carbamoylamino)-3-phenylpropanoyl]amino]ethyl]-4-chlorobenzamide
CID 86921350
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide
CID 46863371
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 55945210) is N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is UIVWDTDBXBNMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c27-21-13-15-22(16-14-21)29-24(31)12-7-17-28-26(33)23(18-19-8-3-1-4-9-19)30-25(32)20-10-5-2-6-11-20/h1-6,8-11,13-16,23H,7,12,17-18H2,(H,28,33)(H,29,31)(H,30,32).
What are the key properties of N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 463.97 g/mol, XLogP of 4.22, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 55945210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).