5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide

C28H30Cl2N4O2 — CID 3395530

IUPAC5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C28H30Cl2N4O2/c1-18-13-15-34(16-14-18)25-12-11-21(32-28(36)33-24-10-6-9-23(29)26(24)30)17-22(25)27(35)31-19(2)20-7-4-3-5-8-20/h3-12,17-19H,13-16H2,1-2H3,(H,31,35)(H2,32,33,36)
InChIKeySIUVELUJIYQMFX-UHFFFAOYSA-N
MW525.48 g/mol
LogP7.36
Rot. Bonds6

About 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide

5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide (PubChem CID 3395530) has the molecular formula C28H30Cl2N4O2 and a molecular weight of 525.48 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
PubChem CID3395530
Molecular FormulaC28H30Cl2N4O2
Molecular Weight525.48 g/mol
Exact Mass524.17
IUPAC Name5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C28H30Cl2N4O2/c1-18-13-15-34(16-14-18)25-12-11-21(32-28(36)33-24-10-6-9-23(29)26(24)30)17-22(25)27(35)31-19(2)20-7-4-3-5-8-20/h3-12,17-19H,13-16H2,1-2H3,(H,31,35)(H2,32,33,36)
InChIKeySIUVELUJIYQMFX-UHFFFAOYSA-N
XLogP7.36
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.48
LogP ≤ 57.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 5166911
5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4691475
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 1063492
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4299183
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3884953
N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
CID 93098297
2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 92907888
2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 7301589
5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 42751563
5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 5158041
5-[(2,6-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3965125

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide (CID 3395530) is 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide is CC1CCN(c2ccc(NC(=O)Nc3cccc(Cl)c3Cl)cc2C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The InChIKey is SIUVELUJIYQMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N4O2/c1-18-13-15-34(16-14-18)25-12-11-21(32-28(36)33-24-10-6-9-23(29)26(24)30)17-22(25)27(35)31-19(2)20-7-4-3-5-8-20/h3-12,17-19H,13-16H2,1-2H3,(H,31,35)(H2,32,33,36).
What are the key properties of 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide has a molecular weight of 525.48 g/mol, XLogP of 7.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 3395530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).