N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride

C26H27Cl2N3O2 — CID 162338003

IUPACN-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCl.NC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)c(CN2CCCCC2)c1
InChIInChI=1S/C26H26ClN3O2.ClH/c27-21-10-12-24(23(16-21)25(28)31)29-26(32)19-9-11-22(18-7-3-1-4-8-18)20(15-19)17-30-13-5-2-6-14-30;/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H2,28,31)(H,29,32);1H
InChIKeyMBFFKQCVGXTNCL-UHFFFAOYSA-N
MW484.43 g/mol
LogP5.77
Rot. Bonds6

About N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride

N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride (PubChem CID 162338003) has the molecular formula C26H27Cl2N3O2 and a molecular weight of 484.43 g/mol. Its IUPAC name is N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
PubChem CID162338003
Molecular FormulaC26H27Cl2N3O2
Molecular Weight484.43 g/mol
Exact Mass483.15
IUPAC NameN-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCl.NC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)c(CN2CCCCC2)c1
InChIInChI=1S/C26H26ClN3O2.ClH/c27-21-10-12-24(23(16-21)25(28)31)29-26(32)19-9-11-22(18-7-3-1-4-8-18)20(15-19)17-30-13-5-2-6-14-30;/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H2,28,31)(H,29,32);1H
InChIKeyMBFFKQCVGXTNCL-UHFFFAOYSA-N
XLogP5.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.43
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride
CID 162320964
N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 162337651
N-(2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide
CID 126635585
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
5-chloro-2-(piperidin-1-ylmethyl)benzoic acid
CID 117220873
5-chloro-2-[(4-methylbenzoyl)amino]benzamide
CID 46934109
2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-5-chlorobenzoic acid
CID 155532441
5-chloro-2-(pyrrolidin-1-ylmethyl)benzoic acid
CID 117220861
1-[[5-(1,3-benzothiazol-5-ylcarbamoyl)-2-phenylphenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 23112227
2-[[3-(chloromethyl)benzoyl]amino]-5-piperidin-1-ylbenzamide
CID 123997933
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride (CID 162338003) is N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride is Cl.NC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)c(CN2CCCCC2)c1.
What is the InChIKey of N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The InChIKey is MBFFKQCVGXTNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2.ClH/c27-21-10-12-24(23(16-21)25(28)31)29-26(32)19-9-11-22(18-7-3-1-4-8-18)20(15-19)17-30-13-5-2-6-14-30;/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H2,28,31)(H,29,32);1H.
What are the key properties of N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride has a molecular weight of 484.43 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 162338003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).