N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide

C26H31Cl2N3O2 — CID 3299631

IUPACN-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C26H31Cl2N3O2/c1-17-11-13-31(14-12-17)24-10-8-20(30-25(32)21-9-7-18(27)15-23(21)28)16-22(24)26(33)29-19-5-3-2-4-6-19/h7-10,15-17,19H,2-6,11-14H2,1H3,(H,29,33)(H,30,32)
InChIKeyITECJBSADHREBU-UHFFFAOYSA-N
MW488.46 g/mol
LogP6.54
Rot. Bonds5

About N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide

N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 3299631) has the molecular formula C26H31Cl2N3O2 and a molecular weight of 488.46 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID3299631
Molecular FormulaC26H31Cl2N3O2
Molecular Weight488.46 g/mol
Exact Mass487.18
IUPAC NameN-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C26H31Cl2N3O2/c1-17-11-13-31(14-12-17)24-10-8-20(30-25(32)21-9-7-18(27)15-23(21)28)16-22(24)26(33)29-19-5-3-2-4-6-19/h7-10,15-17,19H,2-6,11-14H2,1H3,(H,29,33)(H,30,32)
InChIKeyITECJBSADHREBU-UHFFFAOYSA-N
XLogP6.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.46
LogP ≤ 56.54
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

N-cyclohexyl-5-(cyclopropanecarbonylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 4265195
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
5-[(4-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064480
5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 42757156
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide
CID 42747228
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 1066572
5-[(3-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42659848
5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 42751563
2,4-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3478464
2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
5-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064488
N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide
CID 4645895

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide (CID 3299631) is N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide is CC1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is ITECJBSADHREBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N3O2/c1-17-11-13-31(14-12-17)24-10-8-20(30-25(32)21-9-7-18(27)15-23(21)28)16-22(24)26(33)29-19-5-3-2-4-6-19/h7-10,15-17,19H,2-6,11-14H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide?
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 488.46 g/mol, XLogP of 6.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 3299631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).