4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide

C30H28ClN3O — CID 58791104

IUPAC4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(c1cccnc1)N1CCCC1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C30H28ClN3O/c31-28-15-14-25(19-27(28)24-12-10-23(11-13-24)22-7-2-1-3-8-22)30(35)33-21-29(34-17-4-5-18-34)26-9-6-16-32-20-26/h1-3,6-16,19-20,29H,4-5,17-18,21H2,(H,33,35)
InChIKeyXBKYFKCWEYSQHW-UHFFFAOYSA-N
MW482.03 g/mol
LogP6.64
Rot. Bonds7

About 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide

4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 58791104) has the molecular formula C30H28ClN3O and a molecular weight of 482.03 g/mol. Its IUPAC name is 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID58791104
Molecular FormulaC30H28ClN3O
Molecular Weight482.03 g/mol
Exact Mass481.19
IUPAC Name4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(c1cccnc1)N1CCCC1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C30H28ClN3O/c31-28-15-14-25(19-27(28)24-12-10-23(11-13-24)22-7-2-1-3-8-22)30(35)33-21-29(34-17-4-5-18-34)26-9-6-16-32-20-26/h1-3,6-16,19-20,29H,4-5,17-18,21H2,(H,33,35)
InChIKeyXBKYFKCWEYSQHW-UHFFFAOYSA-N
XLogP6.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.03
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166207360
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
4-chloro-3-nitro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 8798745
1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166248647
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
4-chloro-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-3-nitrobenzamide
CID 30716596
4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-3-nitrobenzamide
CID 16803264
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-piperidin-1-ylbenzamide
CID 92626765
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide (CID 58791104) is 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide is O=C(NCC(c1cccnc1)N1CCCC1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is XBKYFKCWEYSQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O/c31-28-15-14-25(19-27(28)24-12-10-23(11-13-24)22-7-2-1-3-8-22)30(35)33-21-29(34-17-4-5-18-34)26-9-6-16-32-20-26/h1-3,6-16,19-20,29H,4-5,17-18,21H2,(H,33,35).
What are the key properties of 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide?
4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 482.03 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 58791104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).