4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide

C27H23ClN2O — CID 58791114

IUPAC4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H23ClN2O/c1-30(18-16-24-9-5-6-17-29-24)27(31)23-14-15-26(28)25(19-23)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h2-15,17,19H,16,18H2,1H3
InChIKeyVMRQEDAMMDYFPN-UHFFFAOYSA-N
MW426.95 g/mol
LogP6.38
Rot. Bonds6

About 4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide

4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 58791114) has the molecular formula C27H23ClN2O and a molecular weight of 426.95 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID58791114
Molecular FormulaC27H23ClN2O
Molecular Weight426.95 g/mol
Exact Mass426.15
IUPAC Name4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H23ClN2O/c1-30(18-16-24-9-5-6-17-29-24)27(31)23-14-15-26(28)25(19-23)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h2-15,17,19H,16,18H2,1H3
InChIKeyVMRQEDAMMDYFPN-UHFFFAOYSA-N
XLogP6.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.95
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 122137867
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115115934
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide
CID 134017566
N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 134008705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide (CID 58791114) is 4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide is CN(CCc1ccccn1)C(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is VMRQEDAMMDYFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O/c1-30(18-16-24-9-5-6-17-29-24)27(31)23-14-15-26(28)25(19-23)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h2-15,17,19H,16,18H2,1H3.
What are the key properties of 4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide?
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 426.95 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 58791114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).