2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide

C21H22Cl2N2O2 — CID 42706776

IUPAC2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide
SMILESO=C(NCCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1)C1CCC1
InChIInChI=1S/C21H22Cl2N2O2/c22-16-10-11-18(19(23)14-16)21(27)25(17-8-2-1-3-9-17)13-5-12-24-20(26)15-6-4-7-15/h1-3,8-11,14-15H,4-7,12-13H2,(H,24,26)
InChIKeySHSBRVJYAWLFIS-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.95
Rot. Bonds7

About 2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide

2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide (PubChem CID 42706776) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide
PubChem CID42706776
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide
SMILESO=C(NCCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1)C1CCC1
InChIInChI=1S/C21H22Cl2N2O2/c22-16-10-11-18(19(23)14-16)21(27)25(17-8-2-1-3-9-17)13-5-12-24-20(26)15-6-4-7-15/h1-3,8-11,14-15H,4-7,12-13H2,(H,24,26)
InChIKeySHSBRVJYAWLFIS-UHFFFAOYSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide
CID 42705684
N-[3-(N-(4-chlorophenyl)sulfonylanilino)propyl]cyclobutanecarboxamide
CID 42703053
N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-2,4-dichloro-N-phenylbenzamide
CID 42706779
2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
CID 42706752
N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-N-phenylcyclohexanecarboxamide
CID 42705713
2,4-dichloro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 99181718
2-chloro-N-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42706747
N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
CID 42702472
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperidine-4-carboxamide
CID 41278246

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide?
The IUPAC name of 2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide (CID 42706776) is 2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide is O=C(NCCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1)C1CCC1.
What is the InChIKey of 2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide?
The InChIKey is SHSBRVJYAWLFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c22-16-10-11-18(19(23)14-16)21(27)25(17-8-2-1-3-9-17)13-5-12-24-20(26)15-6-4-7-15/h1-3,8-11,14-15H,4-7,12-13H2,(H,24,26).
What are the key properties of 2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide?
2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide has a molecular weight of 405.33 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide is sourced from PubChem (CID 42706776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).