5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide

C28H30ClN3O2 — CID 3661404

IUPAC5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C28H30ClN3O2/c1-20-14-17-32(18-15-20)26-12-11-24(31-27(33)22-7-9-23(29)10-8-22)19-25(26)28(34)30-16-13-21-5-3-2-4-6-21/h2-12,19-20H,13-18H2,1H3,(H,30,34)(H,31,33)
InChIKeyOGCQIGSHBZCFSB-UHFFFAOYSA-N
MW476.02 g/mol
LogP5.80
Rot. Bonds7

About 5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide

5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide (PubChem CID 3661404) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
PubChem CID3661404
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC Name5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C28H30ClN3O2/c1-20-14-17-32(18-15-20)26-12-11-24(31-27(33)22-7-9-23(29)10-8-22)19-25(26)28(34)30-16-13-21-5-3-2-4-6-21/h2-12,19-20H,13-18H2,1H3,(H,30,34)(H,31,33)
InChIKeyOGCQIGSHBZCFSB-UHFFFAOYSA-N
XLogP5.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 55.80
H-Bond Donors ≤ 52
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-[(3-chloro-4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 42661889
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42757099
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4621165
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
5-[(2-fluorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067247
N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide
CID 3879115
5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067260
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 4015486
N-benzyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3951976
4-chloro-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 4018717
N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide
CID 4645895
5-[(3-chlorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3890028

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide (CID 3661404) is 5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide is CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is OGCQIGSHBZCFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-20-14-17-32(18-15-20)26-12-11-24(31-27(33)22-7-9-23(29)10-8-22)19-25(26)28(34)30-16-13-21-5-3-2-4-6-21/h2-12,19-20H,13-18H2,1H3,(H,30,34)(H,31,33).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide?
5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 476.02 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 3661404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).